USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl 170:sc= -0.822 (180deg=-1.31) USER MOD Set 1.2: A 75 THR OG1 : rot -140:sc= 0.838 USER MOD Set 1.3: B 602 LYS NZ :NH3+ -178:sc= 0.35 (180deg=-0.611) USER MOD Set 2.1: B 575 CYS SG : rot -117:sc= -1.03 USER MOD Set 2.2: B 578 CYS SG : rot 38:sc= 0.837 USER MOD Set 2.3: B 596 CYS SG : rot 65:sc= -1.48 USER MOD Set 2.4: B 599 CYS SG : rot -75:sc= 0.302 USER MOD Set 3.1: B 590 GLN : amide:sc= 0.917! C(o=-12!,f=-9.2!) USER MOD Set 3.2: B 591 ASN : amide:sc= -13! C(o=-12!,f=-5.9!) USER MOD Set 4.1: B 562 THR OG1 : rot 180:sc= 0.028 USER MOD Set 4.2: B 567 LYS NZ :NH3+ 137:sc= 0.03 (180deg=0) USER MOD Set 5.1: B 549 CYS SG : rot -118:sc= -0.57 USER MOD Set 5.2: B 552 CYS SG : rot -176:sc= 0.42 USER MOD Set 5.3: B 569 HIS : no HE2:sc= -5.85! C(o=-12!,f=-25!) USER MOD Set 5.4: B 572 HIS : no HD1:sc= -5.88! C(o=-12!,f=-19!) USER MOD Set 6.1: A 56 LYS NZ :NH3+ -159:sc= -0.0733 (180deg=-0.0403) USER MOD Set 6.2: A 61 HIS : no HE2:sc= 0.403 K(o=0.33,f=-4.6!) USER MOD Single : A 17 THR OG1 : rot -127:sc= -0.545 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 28 ASN : amide:sc= -2.99! K(o=-3!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -1.5 USER MOD Single : A 40 HIS : no HD1:sc= 0.292 K(o=0.29,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= -5.11! (180deg=-8.03!) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0214) USER MOD Single : A 59 SER OG : rot 170:sc= -0.253 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 74 LYS NZ :NH3+ 138:sc= -0.936 (180deg=-3.58!) USER MOD Single : A 76 HIS : no HD1:sc= -0.161! C(o=-0.16!,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.767 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.85! K(o=-2.8!,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.261) USER MOD Single : A 91 GLN : amide:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.59! K(o=-3.6!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0371) USER MOD Single : B 557 THR OG1 : rot 59:sc= 1.01 USER MOD Single : B 560 CYS SG : rot 38:sc= 0.341 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 161:sc= -0.0813 (180deg=-0.903) USER MOD Single : B 581 GLN : amide:sc= -7.02! C(o=-7!,f=-2.5!) USER MOD Single : B 583 ASN : amide:sc= -2.03! C(o=-2!,f=-3.6!) USER MOD Single : B 584 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.09) USER MOD Single : B 586 THR OG1 : rot 62:sc= 0.515 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.79! K(o=-4.8!,f=-0.25) USER MOD Single : B 598 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.57) USER MOD Single : B 605 CYS SG : rot -10:sc= 0.486 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 89.300 -15.110 12.207 1.00 0.00 N ATOM 214 CA GLY A 16 89.551 -14.528 10.859 1.00 0.00 C ATOM 215 C GLY A 16 89.336 -13.020 10.935 1.00 0.00 C ATOM 216 O GLY A 16 88.828 -12.405 10.019 1.00 0.00 O ATOM 0 HA2 GLY A 16 90.568 -14.750 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.878 -14.970 10.124 1.00 0.00 H new ATOM 220 N THR A 17 89.713 -12.423 12.033 1.00 0.00 N ATOM 221 CA THR A 17 89.525 -10.952 12.194 1.00 0.00 C ATOM 222 C THR A 17 90.758 -10.212 11.685 1.00 0.00 C ATOM 223 O THR A 17 91.866 -10.431 12.133 1.00 0.00 O ATOM 224 CB THR A 17 89.315 -10.612 13.674 1.00 0.00 C ATOM 225 OG1 THR A 17 89.182 -9.207 13.814 1.00 0.00 O ATOM 226 CG2 THR A 17 90.512 -11.092 14.500 1.00 0.00 C ATOM 0 H THR A 17 90.145 -12.892 12.829 1.00 0.00 H new ATOM 0 HA THR A 17 88.651 -10.646 11.620 1.00 0.00 H new ATOM 0 HB THR A 17 88.414 -11.110 14.032 1.00 0.00 H new ATOM 0 HG1 THR A 17 89.818 -8.884 14.486 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.352 -10.845 15.550 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.618 -12.172 14.393 1.00 0.00 H new ATOM 0 HG23 THR A 17 91.419 -10.601 14.146 1.00 0.00 H new ATOM 234 N TRP A 18 90.559 -9.328 10.754 1.00 0.00 N ATOM 235 CA TRP A 18 91.683 -8.532 10.185 1.00 0.00 C ATOM 236 C TRP A 18 91.235 -7.068 10.107 1.00 0.00 C ATOM 237 O TRP A 18 90.233 -6.748 9.499 1.00 0.00 O ATOM 238 CB TRP A 18 92.038 -9.063 8.778 1.00 0.00 C ATOM 239 CG TRP A 18 90.925 -9.906 8.233 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.765 -9.431 7.726 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.853 -11.358 8.126 1.00 0.00 C ATOM 242 NE1 TRP A 18 88.986 -10.499 7.317 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.612 -11.707 7.544 1.00 0.00 C ATOM 244 CE3 TRP A 18 91.736 -12.397 8.476 1.00 0.00 C ATOM 245 CZ2 TRP A 18 89.258 -13.037 7.316 1.00 0.00 C ATOM 246 CZ3 TRP A 18 91.382 -13.737 8.248 1.00 0.00 C ATOM 247 CH2 TRP A 18 90.146 -14.056 7.669 1.00 0.00 C ATOM 0 H TRP A 18 89.645 -9.117 10.353 1.00 0.00 H new ATOM 0 HA TRP A 18 92.569 -8.616 10.814 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.230 -8.227 8.106 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.955 -9.650 8.826 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.491 -8.389 7.652 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.061 -10.404 6.898 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.691 -12.162 8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.304 -13.277 6.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 92.067 -14.527 8.521 1.00 0.00 H new ATOM 0 HH2 TRP A 18 89.880 -15.088 7.496 1.00 0.00 H new ATOM 258 N GLU A 19 91.965 -6.177 10.722 1.00 0.00 N ATOM 259 CA GLU A 19 91.566 -4.739 10.681 1.00 0.00 C ATOM 260 C GLU A 19 91.937 -4.155 9.319 1.00 0.00 C ATOM 261 O GLU A 19 93.056 -4.282 8.862 1.00 0.00 O ATOM 262 CB GLU A 19 92.270 -3.935 11.808 1.00 0.00 C ATOM 263 CG GLU A 19 93.336 -4.790 12.490 1.00 0.00 C ATOM 264 CD GLU A 19 94.394 -5.206 11.466 1.00 0.00 C ATOM 265 OE1 GLU A 19 95.039 -4.326 10.921 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.542 -6.397 11.247 1.00 0.00 O ATOM 0 H GLU A 19 92.815 -6.380 11.248 1.00 0.00 H new ATOM 0 HA GLU A 19 90.489 -4.668 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.727 -3.038 11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.534 -3.606 12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.801 -4.230 13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.878 -5.674 12.934 1.00 0.00 H new ATOM 273 N LEU A 20 91.016 -3.493 8.676 1.00 0.00 N ATOM 274 CA LEU A 20 91.333 -2.880 7.359 1.00 0.00 C ATOM 275 C LEU A 20 91.981 -1.526 7.635 1.00 0.00 C ATOM 276 O LEU A 20 91.519 -0.768 8.460 1.00 0.00 O ATOM 277 CB LEU A 20 90.031 -2.708 6.536 1.00 0.00 C ATOM 278 CG LEU A 20 90.167 -3.357 5.141 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.391 -2.789 4.392 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.291 -4.892 5.278 1.00 0.00 C ATOM 0 H LEU A 20 90.061 -3.351 9.005 1.00 0.00 H new ATOM 0 HA LEU A 20 92.010 -3.511 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.196 -3.160 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.803 -1.648 6.427 1.00 0.00 H new ATOM 0 HG LEU A 20 89.272 -3.124 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.468 -3.260 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.275 -1.712 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.295 -2.994 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.386 -5.339 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.172 -5.134 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.402 -5.286 5.770 1.00 0.00 H new ATOM 292 N SER A 21 93.051 -1.224 6.967 1.00 0.00 N ATOM 293 CA SER A 21 93.731 0.072 7.217 1.00 0.00 C ATOM 294 C SER A 21 92.976 1.193 6.517 1.00 0.00 C ATOM 295 O SER A 21 92.434 1.014 5.444 1.00 0.00 O ATOM 296 CB SER A 21 95.162 0.007 6.677 1.00 0.00 C ATOM 297 OG SER A 21 95.993 0.868 7.445 1.00 0.00 O ATOM 0 H SER A 21 93.485 -1.816 6.259 1.00 0.00 H new ATOM 0 HA SER A 21 93.752 0.267 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.535 -1.016 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.181 0.304 5.628 1.00 0.00 H new ATOM 0 HG SER A 21 96.911 0.828 7.103 1.00 0.00 H new ATOM 303 N VAL A 22 92.956 2.357 7.113 1.00 0.00 N ATOM 304 CA VAL A 22 92.256 3.514 6.479 1.00 0.00 C ATOM 305 C VAL A 22 93.113 4.769 6.608 1.00 0.00 C ATOM 306 O VAL A 22 93.208 5.377 7.655 1.00 0.00 O ATOM 307 CB VAL A 22 90.874 3.735 7.120 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.323 5.111 6.731 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.919 2.666 6.595 1.00 0.00 C ATOM 0 H VAL A 22 93.395 2.556 8.012 1.00 0.00 H new ATOM 0 HA VAL A 22 92.104 3.295 5.422 1.00 0.00 H new ATOM 0 HB VAL A 22 90.967 3.677 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.345 5.255 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 22 91.005 5.887 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.226 5.171 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.934 2.808 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.843 2.747 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.297 1.679 6.859 1.00 0.00 H new ATOM 319 N HIS A 23 93.716 5.168 5.526 1.00 0.00 N ATOM 320 CA HIS A 23 94.549 6.393 5.534 1.00 0.00 C ATOM 321 C HIS A 23 93.606 7.586 5.463 1.00 0.00 C ATOM 322 O HIS A 23 93.036 7.880 4.431 1.00 0.00 O ATOM 323 CB HIS A 23 95.457 6.371 4.304 1.00 0.00 C ATOM 324 CG HIS A 23 96.686 5.547 4.584 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.966 6.025 4.351 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.845 4.273 5.072 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.831 5.054 4.696 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.201 3.965 5.142 1.00 0.00 N ATOM 0 H HIS A 23 93.665 4.690 4.627 1.00 0.00 H new ATOM 0 HA HIS A 23 95.165 6.453 6.431 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.918 5.957 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.744 7.388 4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.041 3.611 5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.905 5.145 4.621 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.623 3.094 5.465 1.00 0.00 H new ATOM 336 N VAL A 24 93.419 8.262 6.552 1.00 0.00 N ATOM 337 CA VAL A 24 92.493 9.414 6.546 1.00 0.00 C ATOM 338 C VAL A 24 93.112 10.581 5.776 1.00 0.00 C ATOM 339 O VAL A 24 93.929 11.309 6.296 1.00 0.00 O ATOM 340 CB VAL A 24 92.226 9.834 7.989 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.959 10.698 8.062 1.00 0.00 C ATOM 342 CG2 VAL A 24 92.045 8.578 8.852 1.00 0.00 C ATOM 0 H VAL A 24 93.868 8.066 7.447 1.00 0.00 H new ATOM 0 HA VAL A 24 91.559 9.132 6.060 1.00 0.00 H new ATOM 0 HB VAL A 24 93.070 10.417 8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.778 10.992 9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 24 91.091 11.590 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 24 90.107 10.127 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.854 8.870 9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.202 7.997 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.950 7.973 8.808 1.00 0.00 H new ATOM 352 N THR A 25 92.714 10.778 4.550 1.00 0.00 N ATOM 353 CA THR A 25 93.269 11.918 3.769 1.00 0.00 C ATOM 354 C THR A 25 92.591 13.190 4.280 1.00 0.00 C ATOM 355 O THR A 25 91.747 13.133 5.152 1.00 0.00 O ATOM 356 CB THR A 25 93.005 11.730 2.258 1.00 0.00 C ATOM 357 OG1 THR A 25 91.978 12.617 1.838 1.00 0.00 O ATOM 358 CG2 THR A 25 92.584 10.283 1.967 1.00 0.00 C ATOM 0 H THR A 25 92.032 10.202 4.057 1.00 0.00 H new ATOM 0 HA THR A 25 94.349 11.979 3.899 1.00 0.00 H new ATOM 0 HB THR A 25 93.922 11.948 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.814 12.497 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.401 10.165 0.899 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.378 9.604 2.276 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.673 10.051 2.519 1.00 0.00 H new ATOM 366 N ASP A 26 92.960 14.338 3.784 1.00 0.00 N ATOM 367 CA ASP A 26 92.331 15.590 4.299 1.00 0.00 C ATOM 368 C ASP A 26 92.556 15.642 5.814 1.00 0.00 C ATOM 369 O ASP A 26 92.054 16.503 6.509 1.00 0.00 O ATOM 370 CB ASP A 26 90.828 15.585 3.992 1.00 0.00 C ATOM 371 CG ASP A 26 90.270 17.003 4.135 1.00 0.00 C ATOM 372 OD1 ASP A 26 90.560 17.822 3.279 1.00 0.00 O ATOM 373 OD2 ASP A 26 89.561 17.244 5.098 1.00 0.00 O ATOM 0 H ASP A 26 93.661 14.465 3.054 1.00 0.00 H new ATOM 0 HA ASP A 26 92.775 16.463 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 26 90.654 15.215 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 26 90.310 14.909 4.672 1.00 0.00 H new ATOM 378 N LEU A 27 93.327 14.713 6.313 1.00 0.00 N ATOM 379 CA LEU A 27 93.640 14.648 7.767 1.00 0.00 C ATOM 380 C LEU A 27 95.041 14.046 7.896 1.00 0.00 C ATOM 381 O LEU A 27 95.829 14.456 8.721 1.00 0.00 O ATOM 382 CB LEU A 27 92.594 13.766 8.487 1.00 0.00 C ATOM 383 CG LEU A 27 91.518 14.658 9.148 1.00 0.00 C ATOM 384 CD1 LEU A 27 90.230 13.864 9.376 1.00 0.00 C ATOM 385 CD2 LEU A 27 92.027 15.170 10.501 1.00 0.00 C ATOM 0 H LEU A 27 93.763 13.978 5.757 1.00 0.00 H new ATOM 0 HA LEU A 27 93.609 15.636 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 27 92.127 13.086 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 27 93.083 13.151 9.242 1.00 0.00 H new ATOM 0 HG LEU A 27 91.313 15.497 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.484 14.507 9.842 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.851 13.502 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.436 13.016 10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 27 91.265 15.798 10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.243 14.323 11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.936 15.753 10.351 1.00 0.00 H new ATOM 397 N ASN A 28 95.345 13.090 7.052 1.00 0.00 N ATOM 398 CA ASN A 28 96.692 12.445 7.051 1.00 0.00 C ATOM 399 C ASN A 28 96.834 11.446 8.192 1.00 0.00 C ATOM 400 O ASN A 28 97.931 11.033 8.511 1.00 0.00 O ATOM 401 CB ASN A 28 97.794 13.507 7.174 1.00 0.00 C ATOM 402 CG ASN A 28 99.108 12.936 6.647 1.00 0.00 C ATOM 403 OD1 ASN A 28 100.021 13.666 6.316 1.00 0.00 O ATOM 404 ND2 ASN A 28 99.233 11.646 6.559 1.00 0.00 N ATOM 0 H ASN A 28 94.702 12.724 6.350 1.00 0.00 H new ATOM 0 HA ASN A 28 96.796 11.912 6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 28 97.520 14.399 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.908 13.810 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 28 100.102 11.240 6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.463 11.039 6.839 1.00 0.00 H new ATOM 411 N ARG A 29 95.759 11.026 8.808 1.00 0.00 N ATOM 412 CA ARG A 29 95.902 10.040 9.903 1.00 0.00 C ATOM 413 C ARG A 29 95.795 8.649 9.318 1.00 0.00 C ATOM 414 O ARG A 29 95.615 8.463 8.131 1.00 0.00 O ATOM 415 CB ARG A 29 94.799 10.211 10.936 1.00 0.00 C ATOM 416 CG ARG A 29 94.812 11.643 11.458 1.00 0.00 C ATOM 417 CD ARG A 29 93.597 11.870 12.358 1.00 0.00 C ATOM 418 NE ARG A 29 93.877 11.332 13.719 1.00 0.00 N ATOM 419 CZ ARG A 29 92.893 11.101 14.543 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.137 10.638 15.739 1.00 0.00 N ATOM 421 NH2 ARG A 29 91.664 11.331 14.170 1.00 0.00 N ATOM 0 H ARG A 29 94.805 11.322 8.600 1.00 0.00 H new ATOM 0 HA ARG A 29 96.867 10.192 10.386 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.830 9.983 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.944 9.511 11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.730 11.830 12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.796 12.345 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.369 12.934 12.416 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.721 11.379 11.935 1.00 0.00 H new ATOM 0 HE ARG A 29 94.838 11.145 14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.098 10.457 16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.367 10.458 16.383 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.474 11.691 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 29 90.893 11.151 14.814 1.00 0.00 H new ATOM 435 N ASP A 30 95.880 7.677 10.157 1.00 0.00 N ATOM 436 CA ASP A 30 95.760 6.268 9.705 1.00 0.00 C ATOM 437 C ASP A 30 94.960 5.518 10.749 1.00 0.00 C ATOM 438 O ASP A 30 95.360 5.406 11.891 1.00 0.00 O ATOM 439 CB ASP A 30 97.140 5.631 9.562 1.00 0.00 C ATOM 440 CG ASP A 30 97.809 6.138 8.283 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.160 5.313 7.455 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.958 7.341 8.153 1.00 0.00 O ATOM 0 H ASP A 30 96.031 7.793 11.159 1.00 0.00 H new ATOM 0 HA ASP A 30 95.267 6.229 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.756 5.875 10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.049 4.545 9.531 1.00 0.00 H new ATOM 447 N VAL A 31 93.819 5.022 10.368 1.00 0.00 N ATOM 448 CA VAL A 31 92.951 4.289 11.330 1.00 0.00 C ATOM 449 C VAL A 31 92.751 2.858 10.856 1.00 0.00 C ATOM 450 O VAL A 31 92.886 2.550 9.688 1.00 0.00 O ATOM 451 CB VAL A 31 91.600 4.987 11.403 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.768 4.353 12.517 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.804 6.482 11.691 1.00 0.00 C ATOM 0 H VAL A 31 93.446 5.093 9.421 1.00 0.00 H new ATOM 0 HA VAL A 31 93.422 4.278 12.313 1.00 0.00 H new ATOM 0 HB VAL A 31 91.079 4.878 10.452 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.799 4.849 12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.622 3.294 12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 31 91.289 4.463 13.468 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.835 6.978 11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 31 92.324 6.602 12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.398 6.928 10.894 1.00 0.00 H new ATOM 463 N THR A 32 92.421 1.987 11.765 1.00 0.00 N ATOM 464 CA THR A 32 92.191 0.556 11.414 1.00 0.00 C ATOM 465 C THR A 32 90.891 0.108 12.090 1.00 0.00 C ATOM 466 O THR A 32 90.655 0.393 13.247 1.00 0.00 O ATOM 467 CB THR A 32 93.388 -0.285 11.925 1.00 0.00 C ATOM 468 OG1 THR A 32 94.277 0.567 12.633 1.00 0.00 O ATOM 469 CG2 THR A 32 94.151 -0.940 10.761 1.00 0.00 C ATOM 0 H THR A 32 92.298 2.208 12.753 1.00 0.00 H new ATOM 0 HA THR A 32 92.107 0.423 10.335 1.00 0.00 H new ATOM 0 HB THR A 32 93.004 -1.074 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.038 0.045 12.963 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.984 -1.522 11.154 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.478 -1.596 10.208 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.532 -0.166 10.094 1.00 0.00 H new ATOM 477 N LEU A 33 90.046 -0.580 11.368 1.00 0.00 N ATOM 478 CA LEU A 33 88.747 -1.043 11.936 1.00 0.00 C ATOM 479 C LEU A 33 88.739 -2.568 12.006 1.00 0.00 C ATOM 480 O LEU A 33 88.737 -3.239 10.999 1.00 0.00 O ATOM 481 CB LEU A 33 87.617 -0.580 11.003 1.00 0.00 C ATOM 482 CG LEU A 33 87.165 0.853 11.344 1.00 0.00 C ATOM 483 CD1 LEU A 33 86.359 0.881 12.653 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.387 1.769 11.474 1.00 0.00 C ATOM 0 H LEU A 33 90.204 -0.844 10.395 1.00 0.00 H new ATOM 0 HA LEU A 33 88.609 -0.632 12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.957 -0.620 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.770 -1.261 11.087 1.00 0.00 H new ATOM 0 HG LEU A 33 86.525 1.208 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 86.053 1.904 12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.475 0.252 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.977 0.507 13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.060 2.780 11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 33 89.036 1.399 12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.935 1.780 10.532 1.00 0.00 H new ATOM 496 N ARG A 34 88.710 -3.113 13.185 1.00 0.00 N ATOM 497 CA ARG A 34 88.685 -4.583 13.332 1.00 0.00 C ATOM 498 C ARG A 34 87.462 -5.116 12.590 1.00 0.00 C ATOM 499 O ARG A 34 86.336 -4.922 13.006 1.00 0.00 O ATOM 500 CB ARG A 34 88.565 -4.917 14.830 1.00 0.00 C ATOM 501 CG ARG A 34 89.196 -6.267 15.124 1.00 0.00 C ATOM 502 CD ARG A 34 90.701 -6.218 14.847 1.00 0.00 C ATOM 503 NE ARG A 34 91.218 -4.819 14.927 1.00 0.00 N ATOM 504 CZ ARG A 34 91.545 -4.301 16.083 1.00 0.00 C ATOM 505 NH1 ARG A 34 92.010 -3.084 16.145 1.00 0.00 N ATOM 506 NH2 ARG A 34 91.399 -4.999 17.176 1.00 0.00 N ATOM 0 H ARG A 34 88.703 -2.593 14.062 1.00 0.00 H new ATOM 0 HA ARG A 34 89.590 -5.033 12.925 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.054 -4.143 15.422 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.515 -4.927 15.124 1.00 0.00 H new ATOM 0 HG2 ARG A 34 89.019 -6.541 16.164 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.730 -7.036 14.508 1.00 0.00 H new ATOM 0 HD2 ARG A 34 91.227 -6.845 15.567 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.905 -6.628 13.858 1.00 0.00 H new ATOM 0 HE ARG A 34 91.317 -4.265 14.076 1.00 0.00 H new ATOM 0 HH11 ARG A 34 92.119 -2.536 15.292 1.00 0.00 H new ATOM 0 HH12 ARG A 34 92.265 -2.681 17.047 1.00 0.00 H new ATOM 0 HH21 ARG A 34 91.030 -5.949 17.129 1.00 0.00 H new ATOM 0 HH22 ARG A 34 91.654 -4.595 18.077 1.00 0.00 H new ATOM 520 N VAL A 35 87.680 -5.769 11.482 1.00 0.00 N ATOM 521 CA VAL A 35 86.541 -6.305 10.681 1.00 0.00 C ATOM 522 C VAL A 35 86.855 -7.709 10.189 1.00 0.00 C ATOM 523 O VAL A 35 87.827 -8.326 10.577 1.00 0.00 O ATOM 524 CB VAL A 35 86.320 -5.415 9.459 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.807 -4.046 9.903 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.639 -5.245 8.702 1.00 0.00 C ATOM 0 H VAL A 35 88.604 -5.956 11.094 1.00 0.00 H new ATOM 0 HA VAL A 35 85.653 -6.325 11.312 1.00 0.00 H new ATOM 0 HB VAL A 35 85.583 -5.881 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.651 -3.415 9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.864 -4.166 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.539 -3.579 10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.479 -4.610 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.378 -4.783 9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 35 88.001 -6.221 8.378 1.00 0.00 H new ATOM 536 N THR A 36 86.029 -8.202 9.312 1.00 0.00 N ATOM 537 CA THR A 36 86.231 -9.552 8.733 1.00 0.00 C ATOM 538 C THR A 36 85.837 -9.474 7.263 1.00 0.00 C ATOM 539 O THR A 36 85.350 -8.462 6.802 1.00 0.00 O ATOM 540 CB THR A 36 85.339 -10.567 9.451 1.00 0.00 C ATOM 541 OG1 THR A 36 84.036 -10.024 9.608 1.00 0.00 O ATOM 542 CG2 THR A 36 85.922 -10.897 10.824 1.00 0.00 C ATOM 0 H THR A 36 85.204 -7.712 8.966 1.00 0.00 H new ATOM 0 HA THR A 36 87.268 -9.868 8.844 1.00 0.00 H new ATOM 0 HB THR A 36 85.287 -11.479 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.511 -10.600 10.201 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.280 -11.620 11.328 1.00 0.00 H new ATOM 0 HG22 THR A 36 86.920 -11.319 10.704 1.00 0.00 H new ATOM 0 HG23 THR A 36 85.982 -9.988 11.422 1.00 0.00 H new ATOM 550 N GLY A 37 86.034 -10.515 6.515 1.00 0.00 N ATOM 551 CA GLY A 37 85.657 -10.462 5.078 1.00 0.00 C ATOM 552 C GLY A 37 84.165 -10.721 4.937 1.00 0.00 C ATOM 553 O GLY A 37 83.726 -11.499 4.113 1.00 0.00 O ATOM 0 H GLY A 37 86.437 -11.397 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.909 -9.487 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.221 -11.206 4.515 1.00 0.00 H new ATOM 557 N GLU A 38 83.382 -10.058 5.738 1.00 0.00 N ATOM 558 CA GLU A 38 81.909 -10.234 5.670 1.00 0.00 C ATOM 559 C GLU A 38 81.232 -8.936 6.110 1.00 0.00 C ATOM 560 O GLU A 38 80.023 -8.864 6.206 1.00 0.00 O ATOM 561 CB GLU A 38 81.482 -11.371 6.596 1.00 0.00 C ATOM 562 CG GLU A 38 82.100 -11.164 7.978 1.00 0.00 C ATOM 563 CD GLU A 38 81.401 -12.069 8.994 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.247 -11.810 9.294 1.00 0.00 O ATOM 565 OE2 GLU A 38 82.032 -13.005 9.457 1.00 0.00 O ATOM 0 H GLU A 38 83.704 -9.395 6.444 1.00 0.00 H new ATOM 0 HA GLU A 38 81.616 -10.477 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.395 -11.402 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.800 -12.329 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.166 -11.389 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.003 -10.121 8.278 1.00 0.00 H new ATOM 572 N VAL A 39 81.993 -7.899 6.376 1.00 0.00 N ATOM 573 CA VAL A 39 81.363 -6.620 6.801 1.00 0.00 C ATOM 574 C VAL A 39 80.969 -5.804 5.574 1.00 0.00 C ATOM 575 O VAL A 39 81.660 -5.782 4.578 1.00 0.00 O ATOM 576 CB VAL A 39 82.335 -5.821 7.680 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.019 -6.778 8.653 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.393 -5.098 6.824 1.00 0.00 C ATOM 0 H VAL A 39 83.011 -7.888 6.316 1.00 0.00 H new ATOM 0 HA VAL A 39 80.467 -6.840 7.382 1.00 0.00 H new ATOM 0 HB VAL A 39 81.775 -5.063 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.713 -6.222 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.267 -7.260 9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.566 -7.537 8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.068 -4.540 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.963 -5.832 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.898 -4.410 6.138 1.00 0.00 H new ATOM 588 N HIS A 40 79.870 -5.125 5.644 1.00 0.00 N ATOM 589 CA HIS A 40 79.434 -4.297 4.485 1.00 0.00 C ATOM 590 C HIS A 40 80.251 -2.997 4.489 1.00 0.00 C ATOM 591 O HIS A 40 80.602 -2.483 5.531 1.00 0.00 O ATOM 592 CB HIS A 40 77.914 -3.988 4.591 1.00 0.00 C ATOM 593 CG HIS A 40 77.304 -4.750 5.739 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.419 -4.323 7.053 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.570 -5.910 5.785 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.771 -5.212 7.827 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.234 -6.199 7.105 1.00 0.00 N ATOM 0 H HIS A 40 79.249 -5.103 6.453 1.00 0.00 H new ATOM 0 HA HIS A 40 79.602 -4.835 3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.763 -2.918 4.735 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.415 -4.258 3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.295 -6.507 4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.694 -5.137 8.902 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.694 -6.994 7.447 1.00 0.00 H new ATOM 605 N ILE A 41 80.557 -2.462 3.337 1.00 0.00 N ATOM 606 CA ILE A 41 81.347 -1.195 3.296 1.00 0.00 C ATOM 607 C ILE A 41 80.706 -0.185 4.240 1.00 0.00 C ATOM 608 O ILE A 41 81.331 0.325 5.147 1.00 0.00 O ATOM 609 CB ILE A 41 81.328 -0.629 1.880 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.085 -1.572 0.947 1.00 0.00 C ATOM 611 CG2 ILE A 41 81.993 0.751 1.859 1.00 0.00 C ATOM 612 CD1 ILE A 41 81.809 -1.182 -0.507 1.00 0.00 C ATOM 0 H ILE A 41 80.297 -2.844 2.428 1.00 0.00 H new ATOM 0 HA ILE A 41 82.376 -1.394 3.597 1.00 0.00 H new ATOM 0 HB ILE A 41 80.295 -0.533 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.154 -1.522 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.775 -2.602 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 81.975 1.148 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.452 1.426 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.026 0.662 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.349 -1.855 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 41 80.740 -1.255 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.141 -0.158 -0.678 1.00 0.00 H new ATOM 624 N GLY A 42 79.454 0.092 4.033 1.00 0.00 N ATOM 625 CA GLY A 42 78.750 1.054 4.918 1.00 0.00 C ATOM 626 C GLY A 42 78.876 0.558 6.349 1.00 0.00 C ATOM 627 O GLY A 42 78.560 1.250 7.297 1.00 0.00 O ATOM 0 H GLY A 42 78.885 -0.307 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.184 2.049 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.701 1.135 4.634 1.00 0.00 H new ATOM 631 N GLY A 43 79.365 -0.639 6.507 1.00 0.00 N ATOM 632 CA GLY A 43 79.550 -1.194 7.871 1.00 0.00 C ATOM 633 C GLY A 43 80.748 -0.491 8.496 1.00 0.00 C ATOM 634 O GLY A 43 80.841 -0.326 9.693 1.00 0.00 O ATOM 0 H GLY A 43 79.645 -1.258 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.656 -1.035 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.718 -2.270 7.827 1.00 0.00 H new ATOM 638 N VAL A 44 81.654 -0.057 7.668 1.00 0.00 N ATOM 639 CA VAL A 44 82.857 0.666 8.157 1.00 0.00 C ATOM 640 C VAL A 44 82.471 2.137 8.353 1.00 0.00 C ATOM 641 O VAL A 44 82.837 2.759 9.330 1.00 0.00 O ATOM 642 CB VAL A 44 83.978 0.507 7.099 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.889 1.743 7.055 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.831 -0.717 7.435 1.00 0.00 C ATOM 0 H VAL A 44 81.610 -0.175 6.656 1.00 0.00 H new ATOM 0 HA VAL A 44 83.219 0.269 9.105 1.00 0.00 H new ATOM 0 HB VAL A 44 83.502 0.388 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.664 1.597 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.297 2.622 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.353 1.888 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.619 -0.827 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 85.279 -0.589 8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 44 84.204 -1.609 7.435 1.00 0.00 H new ATOM 654 N MET A 45 81.712 2.692 7.440 1.00 0.00 N ATOM 655 CA MET A 45 81.281 4.114 7.590 1.00 0.00 C ATOM 656 C MET A 45 80.742 4.299 9.008 1.00 0.00 C ATOM 657 O MET A 45 80.921 5.327 9.631 1.00 0.00 O ATOM 658 CB MET A 45 80.148 4.415 6.594 1.00 0.00 C ATOM 659 CG MET A 45 80.694 4.629 5.171 1.00 0.00 C ATOM 660 SD MET A 45 79.539 5.671 4.232 1.00 0.00 S ATOM 661 CE MET A 45 78.187 4.474 4.029 1.00 0.00 C ATOM 0 H MET A 45 81.374 2.222 6.600 1.00 0.00 H new ATOM 0 HA MET A 45 82.122 4.781 7.401 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.435 3.591 6.592 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.606 5.304 6.915 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.675 5.102 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.824 3.669 4.671 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.309 4.981 3.629 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.497 3.688 3.340 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.943 4.033 4.996 1.00 0.00 H new ATOM 671 N LEU A 46 80.075 3.299 9.511 1.00 0.00 N ATOM 672 CA LEU A 46 79.505 3.390 10.881 1.00 0.00 C ATOM 673 C LEU A 46 80.628 3.331 11.924 1.00 0.00 C ATOM 674 O LEU A 46 80.873 4.277 12.643 1.00 0.00 O ATOM 675 CB LEU A 46 78.546 2.207 11.107 1.00 0.00 C ATOM 676 CG LEU A 46 77.549 2.542 12.245 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.297 3.208 11.667 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.137 1.261 12.977 1.00 0.00 C ATOM 0 H LEU A 46 79.900 2.418 9.028 1.00 0.00 H new ATOM 0 HA LEU A 46 78.969 4.334 10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 46 78.002 1.989 10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 46 79.113 1.312 11.361 1.00 0.00 H new ATOM 0 HG LEU A 46 78.037 3.222 12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.602 3.440 12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.578 4.128 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.818 2.531 10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.436 1.507 13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.661 0.577 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.020 0.786 13.404 1.00 0.00 H new ATOM 690 N LYS A 47 81.299 2.213 12.020 1.00 0.00 N ATOM 691 CA LYS A 47 82.389 2.073 13.032 1.00 0.00 C ATOM 692 C LYS A 47 83.401 3.213 12.897 1.00 0.00 C ATOM 693 O LYS A 47 83.681 3.914 13.848 1.00 0.00 O ATOM 694 CB LYS A 47 83.116 0.740 12.845 1.00 0.00 C ATOM 695 CG LYS A 47 82.109 -0.405 12.743 1.00 0.00 C ATOM 696 CD LYS A 47 82.862 -1.710 12.458 1.00 0.00 C ATOM 697 CE LYS A 47 81.865 -2.849 12.224 1.00 0.00 C ATOM 698 NZ LYS A 47 81.340 -3.326 13.535 1.00 0.00 N ATOM 0 H LYS A 47 81.139 1.389 11.440 1.00 0.00 H new ATOM 0 HA LYS A 47 81.935 2.109 14.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.729 0.776 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.791 0.566 13.683 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.543 -0.492 13.670 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.390 -0.204 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.500 -1.588 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.515 -1.953 13.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 81.044 -2.505 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.350 -3.669 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.663 -4.099 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 82.128 -3.670 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.862 -2.542 14.024 1.00 0.00 H new ATOM 712 N LEU A 48 83.971 3.398 11.735 1.00 0.00 N ATOM 713 CA LEU A 48 84.979 4.491 11.564 1.00 0.00 C ATOM 714 C LEU A 48 84.439 5.774 12.209 1.00 0.00 C ATOM 715 O LEU A 48 85.038 6.342 13.100 1.00 0.00 O ATOM 716 CB LEU A 48 85.236 4.720 10.051 1.00 0.00 C ATOM 717 CG LEU A 48 86.740 5.065 9.762 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.377 3.991 8.877 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.853 6.400 9.022 1.00 0.00 C ATOM 0 H LEU A 48 83.785 2.843 10.899 1.00 0.00 H new ATOM 0 HA LEU A 48 85.917 4.214 12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 48 84.955 3.826 9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.602 5.531 9.693 1.00 0.00 H new ATOM 0 HG LEU A 48 87.252 5.119 10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.419 4.247 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.326 3.026 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 48 86.839 3.934 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.903 6.622 8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.317 6.338 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 86.420 7.192 9.633 1.00 0.00 H new ATOM 731 N VAL A 49 83.306 6.219 11.755 1.00 0.00 N ATOM 732 CA VAL A 49 82.694 7.458 12.320 1.00 0.00 C ATOM 733 C VAL A 49 82.485 7.305 13.833 1.00 0.00 C ATOM 734 O VAL A 49 82.828 8.182 14.600 1.00 0.00 O ATOM 735 CB VAL A 49 81.344 7.702 11.642 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.603 8.849 12.337 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.573 8.066 10.174 1.00 0.00 C ATOM 0 H VAL A 49 82.769 5.776 11.009 1.00 0.00 H new ATOM 0 HA VAL A 49 83.360 8.302 12.140 1.00 0.00 H new ATOM 0 HB VAL A 49 80.743 6.795 11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.644 9.013 11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.436 8.593 13.383 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.202 9.758 12.277 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.613 8.240 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.180 8.970 10.114 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.090 7.248 9.673 1.00 0.00 H new ATOM 747 N GLU A 50 81.910 6.207 14.271 1.00 0.00 N ATOM 748 CA GLU A 50 81.669 6.020 15.739 1.00 0.00 C ATOM 749 C GLU A 50 82.918 6.432 16.518 1.00 0.00 C ATOM 750 O GLU A 50 82.837 7.047 17.563 1.00 0.00 O ATOM 751 CB GLU A 50 81.357 4.546 16.038 1.00 0.00 C ATOM 752 CG GLU A 50 79.912 4.225 15.652 1.00 0.00 C ATOM 753 CD GLU A 50 78.951 4.931 16.611 1.00 0.00 C ATOM 754 OE1 GLU A 50 78.047 5.594 16.131 1.00 0.00 O ATOM 755 OE2 GLU A 50 79.136 4.795 17.809 1.00 0.00 O ATOM 0 H GLU A 50 81.599 5.437 13.679 1.00 0.00 H new ATOM 0 HA GLU A 50 80.823 6.638 16.039 1.00 0.00 H new ATOM 0 HB2 GLU A 50 82.041 3.902 15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 50 81.513 4.341 17.097 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.720 4.546 14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.748 3.148 15.685 1.00 0.00 H new ATOM 762 N LYS A 51 84.069 6.098 16.015 1.00 0.00 N ATOM 763 CA LYS A 51 85.322 6.466 16.721 1.00 0.00 C ATOM 764 C LYS A 51 85.538 7.978 16.621 1.00 0.00 C ATOM 765 O LYS A 51 86.170 8.583 17.465 1.00 0.00 O ATOM 766 CB LYS A 51 86.484 5.719 16.084 1.00 0.00 C ATOM 767 CG LYS A 51 86.184 4.222 16.155 1.00 0.00 C ATOM 768 CD LYS A 51 87.436 3.405 15.830 1.00 0.00 C ATOM 769 CE LYS A 51 88.121 3.946 14.571 1.00 0.00 C ATOM 770 NZ LYS A 51 88.895 5.172 14.912 1.00 0.00 N ATOM 0 H LYS A 51 84.196 5.585 15.143 1.00 0.00 H new ATOM 0 HA LYS A 51 85.255 6.193 17.774 1.00 0.00 H new ATOM 0 HB2 LYS A 51 86.615 6.032 15.048 1.00 0.00 H new ATOM 0 HB3 LYS A 51 87.414 5.946 16.606 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.824 3.965 17.151 1.00 0.00 H new ATOM 0 HG3 LYS A 51 85.388 3.972 15.454 1.00 0.00 H new ATOM 0 HD2 LYS A 51 88.128 3.440 16.671 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.166 2.359 15.683 1.00 0.00 H new ATOM 0 HE2 LYS A 51 88.784 3.189 14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 51 87.376 4.174 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 88.502 5.985 14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.833 5.348 15.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 89.891 5.040 14.643 1.00 0.00 H new ATOM 784 N LEU A 52 85.009 8.594 15.596 1.00 0.00 N ATOM 785 CA LEU A 52 85.167 10.061 15.435 1.00 0.00 C ATOM 786 C LEU A 52 84.152 10.770 16.341 1.00 0.00 C ATOM 787 O LEU A 52 84.498 11.289 17.382 1.00 0.00 O ATOM 788 CB LEU A 52 84.926 10.421 13.956 1.00 0.00 C ATOM 789 CG LEU A 52 85.676 11.717 13.596 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.135 11.405 13.247 1.00 0.00 C ATOM 791 CD2 LEU A 52 85.014 12.395 12.387 1.00 0.00 C ATOM 0 H LEU A 52 84.471 8.136 14.860 1.00 0.00 H new ATOM 0 HA LEU A 52 86.171 10.379 15.718 1.00 0.00 H new ATOM 0 HB2 LEU A 52 85.265 9.606 13.316 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.859 10.547 13.774 1.00 0.00 H new ATOM 0 HG LEU A 52 85.638 12.383 14.458 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.654 12.329 12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.622 10.938 14.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.168 10.726 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 52 85.553 13.310 12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 85.039 11.719 11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 83.979 12.637 12.627 1.00 0.00 H new ATOM 803 N ASP A 53 82.904 10.770 15.955 1.00 0.00 N ATOM 804 CA ASP A 53 81.837 11.405 16.776 1.00 0.00 C ATOM 805 C ASP A 53 81.962 12.918 16.737 1.00 0.00 C ATOM 806 O ASP A 53 82.532 13.537 17.614 1.00 0.00 O ATOM 807 CB ASP A 53 81.958 10.901 18.206 1.00 0.00 C ATOM 808 CG ASP A 53 80.601 10.982 18.916 1.00 0.00 C ATOM 809 OD1 ASP A 53 80.336 12.002 19.530 1.00 0.00 O ATOM 810 OD2 ASP A 53 79.853 10.022 18.832 1.00 0.00 O ATOM 0 H ASP A 53 82.575 10.347 15.087 1.00 0.00 H new ATOM 0 HA ASP A 53 80.860 11.140 16.372 1.00 0.00 H new ATOM 0 HB2 ASP A 53 82.315 9.871 18.207 1.00 0.00 H new ATOM 0 HB3 ASP A 53 82.695 11.495 18.747 1.00 0.00 H new ATOM 815 N VAL A 54 81.433 13.513 15.722 1.00 0.00 N ATOM 816 CA VAL A 54 81.516 14.990 15.612 1.00 0.00 C ATOM 817 C VAL A 54 80.624 15.490 14.473 1.00 0.00 C ATOM 818 O VAL A 54 80.374 14.794 13.511 1.00 0.00 O ATOM 819 CB VAL A 54 82.977 15.357 15.371 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.547 14.438 14.296 1.00 0.00 C ATOM 821 CG2 VAL A 54 83.095 16.820 14.932 1.00 0.00 C ATOM 0 H VAL A 54 80.944 13.045 14.959 1.00 0.00 H new ATOM 0 HA VAL A 54 81.163 15.464 16.528 1.00 0.00 H new ATOM 0 HB VAL A 54 83.540 15.233 16.296 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.592 14.692 14.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.478 13.402 14.629 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.980 14.561 13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.144 17.066 14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.535 16.969 14.009 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.691 17.467 15.710 1.00 0.00 H new ATOM 831 N LYS A 55 80.138 16.700 14.579 1.00 0.00 N ATOM 832 CA LYS A 55 79.255 17.257 13.511 1.00 0.00 C ATOM 833 C LYS A 55 80.063 17.413 12.210 1.00 0.00 C ATOM 834 O LYS A 55 79.796 18.287 11.408 1.00 0.00 O ATOM 835 CB LYS A 55 78.703 18.634 13.982 1.00 0.00 C ATOM 836 CG LYS A 55 77.148 18.696 13.933 1.00 0.00 C ATOM 837 CD LYS A 55 76.680 19.369 12.632 1.00 0.00 C ATOM 838 CE LYS A 55 75.154 19.505 12.640 1.00 0.00 C ATOM 839 NZ LYS A 55 74.765 20.667 13.489 1.00 0.00 N ATOM 0 H LYS A 55 80.316 17.328 15.362 1.00 0.00 H new ATOM 0 HA LYS A 55 78.419 16.584 13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.040 18.829 15.000 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.116 19.423 13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.735 17.689 13.998 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.772 19.251 14.793 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.142 20.351 12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.998 18.780 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.785 19.643 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.698 18.592 13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.739 20.823 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 75.015 20.472 14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.269 21.517 13.166 1.00 0.00 H new ATOM 853 N LYS A 56 81.039 16.571 11.989 1.00 0.00 N ATOM 854 CA LYS A 56 81.841 16.676 10.740 1.00 0.00 C ATOM 855 C LYS A 56 81.028 16.076 9.592 1.00 0.00 C ATOM 856 O LYS A 56 79.985 15.489 9.802 1.00 0.00 O ATOM 857 CB LYS A 56 83.154 15.901 10.913 1.00 0.00 C ATOM 858 CG LYS A 56 84.161 16.313 9.835 1.00 0.00 C ATOM 859 CD LYS A 56 85.531 15.716 10.173 1.00 0.00 C ATOM 860 CE LYS A 56 86.535 16.057 9.068 1.00 0.00 C ATOM 861 NZ LYS A 56 86.296 15.176 7.890 1.00 0.00 N ATOM 0 H LYS A 56 81.313 15.818 12.620 1.00 0.00 H new ATOM 0 HA LYS A 56 82.072 17.719 10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.570 16.094 11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.963 14.830 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.829 15.963 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.228 17.399 9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.882 16.106 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.449 14.634 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.433 17.103 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.553 15.925 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 87.153 15.142 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.061 14.217 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.506 15.554 7.329 1.00 0.00 H new ATOM 875 N ASP A 57 81.484 16.221 8.379 1.00 0.00 N ATOM 876 CA ASP A 57 80.730 15.668 7.225 1.00 0.00 C ATOM 877 C ASP A 57 81.238 14.264 6.910 1.00 0.00 C ATOM 878 O ASP A 57 82.150 14.086 6.126 1.00 0.00 O ATOM 879 CB ASP A 57 80.953 16.572 6.013 1.00 0.00 C ATOM 880 CG ASP A 57 80.795 18.035 6.431 1.00 0.00 C ATOM 881 OD1 ASP A 57 81.482 18.445 7.351 1.00 0.00 O ATOM 882 OD2 ASP A 57 79.989 18.721 5.823 1.00 0.00 O ATOM 0 H ASP A 57 82.351 16.702 8.139 1.00 0.00 H new ATOM 0 HA ASP A 57 79.668 15.621 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 57 81.948 16.406 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.238 16.328 5.228 1.00 0.00 H new ATOM 887 N TRP A 58 80.649 13.262 7.498 1.00 0.00 N ATOM 888 CA TRP A 58 81.096 11.878 7.211 1.00 0.00 C ATOM 889 C TRP A 58 80.549 11.464 5.842 1.00 0.00 C ATOM 890 O TRP A 58 81.262 10.989 4.983 1.00 0.00 O ATOM 891 CB TRP A 58 80.528 10.913 8.255 1.00 0.00 C ATOM 892 CG TRP A 58 80.619 11.454 9.646 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.716 11.989 10.232 1.00 0.00 C ATOM 894 CD2 TRP A 58 79.565 11.482 10.647 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.393 12.338 11.538 1.00 0.00 N ATOM 896 CE2 TRP A 58 80.076 12.045 11.835 1.00 0.00 C ATOM 897 CE3 TRP A 58 78.223 11.071 10.631 1.00 0.00 C ATOM 898 CZ2 TRP A 58 79.279 12.194 12.972 1.00 0.00 C ATOM 899 CZ3 TRP A 58 77.418 11.220 11.770 1.00 0.00 C ATOM 900 CH2 TRP A 58 77.946 11.780 12.940 1.00 0.00 C ATOM 0 H TRP A 58 79.880 13.344 8.163 1.00 0.00 H new ATOM 0 HA TRP A 58 82.185 11.843 7.231 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.485 10.701 8.019 1.00 0.00 H new ATOM 0 HB3 TRP A 58 81.066 9.967 8.201 1.00 0.00 H new ATOM 0 HD1 TRP A 58 82.680 12.122 9.763 1.00 0.00 H new ATOM 0 HE1 TRP A 58 82.048 12.759 12.197 1.00 0.00 H new ATOM 0 HE3 TRP A 58 77.807 10.636 9.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 79.692 12.627 13.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 76.386 10.901 11.745 1.00 0.00 H new ATOM 0 HH2 TRP A 58 77.323 11.891 13.815 1.00 0.00 H new ATOM 911 N SER A 59 79.268 11.633 5.663 1.00 0.00 N ATOM 912 CA SER A 59 78.604 11.250 4.386 1.00 0.00 C ATOM 913 C SER A 59 79.469 11.649 3.197 1.00 0.00 C ATOM 914 O SER A 59 79.830 10.830 2.376 1.00 0.00 O ATOM 915 CB SER A 59 77.270 11.979 4.301 1.00 0.00 C ATOM 916 OG SER A 59 77.495 13.380 4.382 1.00 0.00 O ATOM 0 H SER A 59 78.641 12.029 6.363 1.00 0.00 H new ATOM 0 HA SER A 59 78.455 10.170 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.767 11.733 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 59 76.614 11.657 5.110 1.00 0.00 H new ATOM 0 HG SER A 59 76.666 13.857 4.167 1.00 0.00 H new ATOM 922 N ASP A 60 79.815 12.899 3.103 1.00 0.00 N ATOM 923 CA ASP A 60 80.668 13.341 1.972 1.00 0.00 C ATOM 924 C ASP A 60 81.901 12.441 1.918 1.00 0.00 C ATOM 925 O ASP A 60 82.352 12.043 0.864 1.00 0.00 O ATOM 926 CB ASP A 60 81.090 14.795 2.206 1.00 0.00 C ATOM 927 CG ASP A 60 82.178 15.190 1.204 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.183 14.637 0.116 1.00 0.00 O ATOM 929 OD2 ASP A 60 82.988 16.037 1.542 1.00 0.00 O ATOM 0 H ASP A 60 79.545 13.632 3.759 1.00 0.00 H new ATOM 0 HA ASP A 60 80.124 13.275 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.229 15.454 2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.460 14.916 3.224 1.00 0.00 H new ATOM 934 N HIS A 61 82.441 12.119 3.060 1.00 0.00 N ATOM 935 CA HIS A 61 83.643 11.248 3.111 1.00 0.00 C ATOM 936 C HIS A 61 83.234 9.777 3.076 1.00 0.00 C ATOM 937 O HIS A 61 82.486 9.301 3.905 1.00 0.00 O ATOM 938 CB HIS A 61 84.404 11.538 4.400 1.00 0.00 C ATOM 939 CG HIS A 61 85.007 12.917 4.333 1.00 0.00 C ATOM 940 ND1 HIS A 61 86.148 13.261 5.042 1.00 0.00 N ATOM 941 CD2 HIS A 61 84.630 14.052 3.657 1.00 0.00 C ATOM 942 CE1 HIS A 61 86.414 14.554 4.782 1.00 0.00 C ATOM 943 NE2 HIS A 61 85.519 15.084 3.943 1.00 0.00 N ATOM 0 H HIS A 61 82.095 12.427 3.969 1.00 0.00 H new ATOM 0 HA HIS A 61 84.276 11.452 2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.732 11.465 5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 61 85.187 10.794 4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 61 86.688 12.645 5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 61 83.774 14.131 3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 61 87.249 15.097 5.200 1.00 0.00 H new ATOM 951 N ALA A 62 83.742 9.057 2.114 1.00 0.00 N ATOM 952 CA ALA A 62 83.428 7.605 1.982 1.00 0.00 C ATOM 953 C ALA A 62 84.747 6.858 1.801 1.00 0.00 C ATOM 954 O ALA A 62 85.801 7.463 1.789 1.00 0.00 O ATOM 955 CB ALA A 62 82.538 7.398 0.756 1.00 0.00 C ATOM 0 H ALA A 62 84.373 9.420 1.400 1.00 0.00 H new ATOM 0 HA ALA A 62 82.906 7.235 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.303 6.339 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.614 7.964 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.061 7.743 -0.136 1.00 0.00 H new ATOM 961 N LEU A 63 84.718 5.556 1.663 1.00 0.00 N ATOM 962 CA LEU A 63 86.003 4.808 1.490 1.00 0.00 C ATOM 963 C LEU A 63 86.292 4.609 0.001 1.00 0.00 C ATOM 964 O LEU A 63 85.401 4.402 -0.800 1.00 0.00 O ATOM 965 CB LEU A 63 85.924 3.440 2.176 1.00 0.00 C ATOM 966 CG LEU A 63 85.497 3.585 3.645 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.410 4.588 4.364 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.023 4.041 3.753 1.00 0.00 C ATOM 0 H LEU A 63 83.873 4.984 1.662 1.00 0.00 H new ATOM 0 HA LEU A 63 86.804 5.389 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.213 2.805 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 63 86.894 2.946 2.123 1.00 0.00 H new ATOM 0 HG LEU A 63 85.589 2.609 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.098 4.683 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.440 4.235 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.340 5.559 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.747 4.135 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 63 83.903 5.005 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.378 3.304 3.274 1.00 0.00 H new ATOM 980 N TRP A 64 87.545 4.689 -0.367 1.00 0.00 N ATOM 981 CA TRP A 64 87.952 4.528 -1.802 1.00 0.00 C ATOM 982 C TRP A 64 89.103 3.510 -1.864 1.00 0.00 C ATOM 983 O TRP A 64 89.844 3.349 -0.915 1.00 0.00 O ATOM 984 CB TRP A 64 88.349 5.942 -2.338 1.00 0.00 C ATOM 985 CG TRP A 64 89.794 6.056 -2.758 1.00 0.00 C ATOM 986 CD1 TRP A 64 90.873 5.741 -2.000 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.323 6.573 -4.016 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.021 5.990 -2.730 1.00 0.00 N ATOM 989 CE2 TRP A 64 91.735 6.512 -3.973 1.00 0.00 C ATOM 990 CE3 TRP A 64 89.718 7.072 -5.183 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.520 6.935 -5.047 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.504 7.502 -6.266 1.00 0.00 C ATOM 993 CH2 TRP A 64 91.903 7.434 -6.197 1.00 0.00 C ATOM 0 H TRP A 64 88.319 4.862 0.275 1.00 0.00 H new ATOM 0 HA TRP A 64 87.149 4.144 -2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 64 87.714 6.188 -3.189 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.147 6.683 -1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 64 90.841 5.358 -0.991 1.00 0.00 H new ATOM 0 HE1 TRP A 64 92.965 5.809 -2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.641 7.125 -5.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.597 6.877 -4.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.028 7.887 -7.156 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.503 7.767 -7.031 1.00 0.00 H new ATOM 1004 N TRP A 65 89.241 2.801 -2.960 1.00 0.00 N ATOM 1005 CA TRP A 65 90.339 1.784 -3.075 1.00 0.00 C ATOM 1006 C TRP A 65 91.363 2.284 -4.092 1.00 0.00 C ATOM 1007 O TRP A 65 91.206 2.088 -5.273 1.00 0.00 O ATOM 1008 CB TRP A 65 89.756 0.448 -3.554 1.00 0.00 C ATOM 1009 CG TRP A 65 90.735 -0.670 -3.319 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.031 -0.529 -2.936 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.511 -2.104 -3.455 1.00 0.00 C ATOM 1012 NE1 TRP A 65 92.604 -1.781 -2.825 1.00 0.00 N ATOM 1013 CE2 TRP A 65 91.711 -2.783 -3.138 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.392 -2.875 -3.820 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 91.799 -4.175 -3.183 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 89.478 -4.275 -3.866 1.00 0.00 C ATOM 1017 CH2 TRP A 65 90.679 -4.924 -3.548 1.00 0.00 C ATOM 0 H TRP A 65 88.641 2.882 -3.781 1.00 0.00 H new ATOM 0 HA TRP A 65 90.814 1.640 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 65 88.825 0.241 -3.026 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.514 0.510 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.532 0.409 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.571 -1.944 -2.545 1.00 0.00 H new ATOM 0 HE3 TRP A 65 88.461 -2.386 -4.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 92.727 -4.669 -2.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 88.613 -4.856 -4.148 1.00 0.00 H new ATOM 0 HH2 TRP A 65 90.738 -6.002 -3.585 1.00 0.00 H new ATOM 1028 N GLU A 66 92.402 2.938 -3.646 1.00 0.00 N ATOM 1029 CA GLU A 66 93.422 3.465 -4.601 1.00 0.00 C ATOM 1030 C GLU A 66 93.979 2.344 -5.472 1.00 0.00 C ATOM 1031 O GLU A 66 94.456 2.585 -6.559 1.00 0.00 O ATOM 1032 CB GLU A 66 94.562 4.119 -3.836 1.00 0.00 C ATOM 1033 CG GLU A 66 95.053 3.169 -2.748 1.00 0.00 C ATOM 1034 CD GLU A 66 96.141 3.853 -1.918 1.00 0.00 C ATOM 1035 OE1 GLU A 66 95.797 4.484 -0.932 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.299 3.734 -2.282 1.00 0.00 O ATOM 0 H GLU A 66 92.589 3.131 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 66 92.938 4.202 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.378 4.363 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.226 5.056 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.222 2.876 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.445 2.257 -3.198 1.00 0.00 H new ATOM 1043 N LYS A 67 93.918 1.119 -5.037 1.00 0.00 N ATOM 1044 CA LYS A 67 94.436 0.035 -5.913 1.00 0.00 C ATOM 1045 C LYS A 67 93.481 -0.047 -7.095 1.00 0.00 C ATOM 1046 O LYS A 67 93.710 -0.738 -8.068 1.00 0.00 O ATOM 1047 CB LYS A 67 94.437 -1.311 -5.184 1.00 0.00 C ATOM 1048 CG LYS A 67 95.137 -1.191 -3.832 1.00 0.00 C ATOM 1049 CD LYS A 67 96.587 -0.741 -4.025 1.00 0.00 C ATOM 1050 CE LYS A 67 97.395 -1.051 -2.757 1.00 0.00 C ATOM 1051 NZ LYS A 67 97.885 -2.458 -2.815 1.00 0.00 N ATOM 0 H LYS A 67 93.542 0.825 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 67 95.461 0.249 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.412 -1.653 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 67 94.940 -2.061 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 67 94.607 -0.476 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.112 -2.150 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.026 -1.252 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 67 96.622 0.327 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.237 -0.364 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.775 -0.906 -1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.433 -2.670 -1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.074 -3.106 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.491 -2.580 -3.652 1.00 0.00 H new ATOM 1065 N LYS A 68 92.387 0.656 -6.979 1.00 0.00 N ATOM 1066 CA LYS A 68 91.343 0.660 -8.035 1.00 0.00 C ATOM 1067 C LYS A 68 90.927 2.106 -8.316 1.00 0.00 C ATOM 1068 O LYS A 68 90.221 2.382 -9.265 1.00 0.00 O ATOM 1069 CB LYS A 68 90.111 -0.131 -7.536 1.00 0.00 C ATOM 1070 CG LYS A 68 90.535 -1.322 -6.657 1.00 0.00 C ATOM 1071 CD LYS A 68 91.077 -2.446 -7.542 1.00 0.00 C ATOM 1072 CE LYS A 68 91.836 -3.474 -6.688 1.00 0.00 C ATOM 1073 NZ LYS A 68 91.726 -4.818 -7.321 1.00 0.00 N ATOM 0 H LYS A 68 92.171 1.242 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 68 91.733 0.200 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 68 89.457 0.530 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 68 89.536 -0.491 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.297 -1.007 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 68 89.684 -1.680 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 68 90.256 -2.934 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 68 91.740 -2.033 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 68 92.884 -3.186 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 68 91.425 -3.500 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.239 -5.516 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 90.724 -5.091 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.138 -4.787 -8.275 1.00 0.00 H new ATOM 1087 N ARG A 69 91.326 3.028 -7.474 1.00 0.00 N ATOM 1088 CA ARG A 69 90.917 4.443 -7.675 1.00 0.00 C ATOM 1089 C ARG A 69 89.401 4.456 -7.813 1.00 0.00 C ATOM 1090 O ARG A 69 88.850 5.064 -8.709 1.00 0.00 O ATOM 1091 CB ARG A 69 91.554 5.023 -8.950 1.00 0.00 C ATOM 1092 CG ARG A 69 93.050 5.328 -8.730 1.00 0.00 C ATOM 1093 CD ARG A 69 93.882 4.073 -8.992 1.00 0.00 C ATOM 1094 NE ARG A 69 93.927 3.799 -10.456 1.00 0.00 N ATOM 1095 CZ ARG A 69 94.801 2.956 -10.935 1.00 0.00 C ATOM 1096 NH1 ARG A 69 94.836 2.709 -12.216 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.638 2.359 -10.132 1.00 0.00 N ATOM 0 H ARG A 69 91.916 2.857 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 69 91.247 5.051 -6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 69 91.440 4.316 -9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.032 5.935 -9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.368 6.131 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.213 5.676 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.892 4.207 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.450 3.222 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 69 93.275 4.270 -11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.180 3.175 -12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.519 2.050 -12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.609 2.551 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.321 1.700 -10.505 1.00 0.00 H new ATOM 1111 N THR A 70 88.726 3.751 -6.937 1.00 0.00 N ATOM 1112 CA THR A 70 87.239 3.667 -7.009 1.00 0.00 C ATOM 1113 C THR A 70 86.618 4.350 -5.803 1.00 0.00 C ATOM 1114 O THR A 70 87.293 4.926 -4.985 1.00 0.00 O ATOM 1115 CB THR A 70 86.838 2.185 -7.005 1.00 0.00 C ATOM 1116 OG1 THR A 70 85.500 2.054 -7.461 1.00 0.00 O ATOM 1117 CG2 THR A 70 86.960 1.587 -5.594 1.00 0.00 C ATOM 0 H THR A 70 89.148 3.227 -6.170 1.00 0.00 H new ATOM 0 HA THR A 70 86.888 4.160 -7.916 1.00 0.00 H new ATOM 0 HB THR A 70 87.511 1.644 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.245 1.108 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.670 0.536 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.991 1.671 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.305 2.129 -4.911 1.00 0.00 H new ATOM 1125 N TRP A 71 85.331 4.231 -5.682 1.00 0.00 N ATOM 1126 CA TRP A 71 84.598 4.802 -4.525 1.00 0.00 C ATOM 1127 C TRP A 71 83.817 3.639 -3.933 1.00 0.00 C ATOM 1128 O TRP A 71 82.834 3.189 -4.466 1.00 0.00 O ATOM 1129 CB TRP A 71 83.665 5.936 -4.991 1.00 0.00 C ATOM 1130 CG TRP A 71 83.323 5.757 -6.439 1.00 0.00 C ATOM 1131 CD1 TRP A 71 82.614 4.728 -6.957 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.668 6.616 -7.564 1.00 0.00 C ATOM 1133 NE1 TRP A 71 82.503 4.896 -8.312 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.134 6.046 -8.743 1.00 0.00 C ATOM 1135 CE3 TRP A 71 84.384 7.821 -7.675 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 83.304 6.648 -9.989 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 84.558 8.431 -8.928 1.00 0.00 C ATOM 1138 CH2 TRP A 71 84.018 7.846 -10.083 1.00 0.00 C ATOM 0 H TRP A 71 84.739 3.747 -6.357 1.00 0.00 H new ATOM 0 HA TRP A 71 85.266 5.244 -3.785 1.00 0.00 H new ATOM 0 HB2 TRP A 71 82.755 5.938 -4.392 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.149 6.901 -4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 71 82.201 3.905 -6.392 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.013 4.249 -8.929 1.00 0.00 H new ATOM 0 HE3 TRP A 71 84.803 8.280 -6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.887 6.192 -10.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 85.111 9.356 -9.003 1.00 0.00 H new ATOM 0 HH2 TRP A 71 84.154 8.321 -11.044 1.00 0.00 H new ATOM 1149 N LEU A 72 84.285 3.099 -2.868 1.00 0.00 N ATOM 1150 CA LEU A 72 83.603 1.917 -2.306 1.00 0.00 C ATOM 1151 C LEU A 72 82.177 2.266 -1.898 1.00 0.00 C ATOM 1152 O LEU A 72 81.885 2.593 -0.767 1.00 0.00 O ATOM 1153 CB LEU A 72 84.416 1.407 -1.127 1.00 0.00 C ATOM 1154 CG LEU A 72 85.830 1.061 -1.620 1.00 0.00 C ATOM 1155 CD1 LEU A 72 86.768 0.913 -0.426 1.00 0.00 C ATOM 1156 CD2 LEU A 72 85.816 -0.242 -2.445 1.00 0.00 C ATOM 0 H LEU A 72 85.108 3.419 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 72 83.534 1.130 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.463 2.164 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 72 83.941 0.528 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 72 86.184 1.869 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.770 0.668 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.799 1.849 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.407 0.116 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 86.827 -0.469 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.449 -1.061 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.162 -0.119 -3.309 1.00 0.00 H new ATOM 1168 N LEU A 73 81.286 2.167 -2.848 1.00 0.00 N ATOM 1169 CA LEU A 73 79.834 2.439 -2.601 1.00 0.00 C ATOM 1170 C LEU A 73 79.054 1.173 -2.952 1.00 0.00 C ATOM 1171 O LEU A 73 77.842 1.173 -3.031 1.00 0.00 O ATOM 1172 CB LEU A 73 79.339 3.623 -3.461 1.00 0.00 C ATOM 1173 CG LEU A 73 79.690 3.431 -4.962 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.559 2.716 -5.713 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.885 4.801 -5.622 1.00 0.00 C ATOM 0 H LEU A 73 81.506 1.903 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 73 79.682 2.707 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.260 3.727 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.787 4.548 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 73 80.599 2.832 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 73 78.836 2.597 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.391 1.735 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 73 77.646 3.307 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.131 4.666 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.966 5.381 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.697 5.332 -5.125 1.00 0.00 H new ATOM 1187 N LYS A 74 79.755 0.086 -3.164 1.00 0.00 N ATOM 1188 CA LYS A 74 79.080 -1.201 -3.514 1.00 0.00 C ATOM 1189 C LYS A 74 78.702 -1.920 -2.208 1.00 0.00 C ATOM 1190 O LYS A 74 78.767 -3.129 -2.102 1.00 0.00 O ATOM 1191 CB LYS A 74 80.050 -2.068 -4.364 1.00 0.00 C ATOM 1192 CG LYS A 74 79.498 -2.298 -5.795 1.00 0.00 C ATOM 1193 CD LYS A 74 79.287 -0.977 -6.565 1.00 0.00 C ATOM 1194 CE LYS A 74 80.486 -0.046 -6.390 1.00 0.00 C ATOM 1195 NZ LYS A 74 80.481 0.979 -7.472 1.00 0.00 N ATOM 0 H LYS A 74 80.772 0.036 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 74 78.177 -1.022 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.022 -1.578 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.206 -3.029 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.189 -2.932 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 74 78.551 -2.835 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 74 79.137 -1.189 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 74 78.383 -0.484 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 74 80.444 0.439 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.413 -0.619 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 80.724 1.907 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.180 0.721 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 79.535 1.025 -7.902 1.00 0.00 H new ATOM 1209 N THR A 75 78.316 -1.174 -1.211 1.00 0.00 N ATOM 1210 CA THR A 75 77.944 -1.795 0.092 1.00 0.00 C ATOM 1211 C THR A 75 77.028 -3.001 -0.143 1.00 0.00 C ATOM 1212 O THR A 75 76.822 -3.814 0.736 1.00 0.00 O ATOM 1213 CB THR A 75 77.224 -0.754 0.957 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.995 0.439 0.988 1.00 0.00 O ATOM 1215 CG2 THR A 75 77.041 -1.278 2.389 1.00 0.00 C ATOM 0 H THR A 75 78.242 -0.157 -1.242 1.00 0.00 H new ATOM 0 HA THR A 75 78.845 -2.135 0.602 1.00 0.00 H new ATOM 0 HB THR A 75 76.242 -0.555 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.975 0.818 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.528 -0.526 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.448 -2.192 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 75 78.017 -1.488 2.827 1.00 0.00 H new ATOM 1223 N HIS A 76 76.484 -3.130 -1.323 1.00 0.00 N ATOM 1224 CA HIS A 76 75.593 -4.289 -1.607 1.00 0.00 C ATOM 1225 C HIS A 76 76.395 -5.586 -1.476 1.00 0.00 C ATOM 1226 O HIS A 76 75.862 -6.628 -1.147 1.00 0.00 O ATOM 1227 CB HIS A 76 75.043 -4.176 -3.030 1.00 0.00 C ATOM 1228 CG HIS A 76 74.352 -2.851 -3.202 1.00 0.00 C ATOM 1229 ND1 HIS A 76 75.006 -1.644 -3.008 1.00 0.00 N ATOM 1230 CD2 HIS A 76 73.066 -2.528 -3.555 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.119 -0.661 -3.244 1.00 0.00 C ATOM 1232 NE2 HIS A 76 72.920 -1.145 -3.581 1.00 0.00 N ATOM 0 H HIS A 76 76.618 -2.484 -2.101 1.00 0.00 H new ATOM 0 HA HIS A 76 74.765 -4.294 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.854 -4.271 -3.752 1.00 0.00 H new ATOM 0 HB3 HIS A 76 74.345 -4.990 -3.226 1.00 0.00 H new ATOM 0 HD2 HIS A 76 72.285 -3.240 -3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 76 74.348 0.392 -3.170 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.079 -0.615 -3.808 1.00 0.00 H new ATOM 1240 N TRP A 77 77.677 -5.527 -1.736 1.00 0.00 N ATOM 1241 CA TRP A 77 78.537 -6.746 -1.637 1.00 0.00 C ATOM 1242 C TRP A 77 79.367 -6.678 -0.360 1.00 0.00 C ATOM 1243 O TRP A 77 79.001 -6.017 0.592 1.00 0.00 O ATOM 1244 CB TRP A 77 79.485 -6.780 -2.828 1.00 0.00 C ATOM 1245 CG TRP A 77 78.708 -6.861 -4.088 1.00 0.00 C ATOM 1246 CD1 TRP A 77 78.702 -5.914 -5.040 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.837 -7.930 -4.558 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.886 -6.325 -6.065 1.00 0.00 N ATOM 1249 CE2 TRP A 77 77.324 -7.560 -5.819 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.443 -9.169 -4.019 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 76.452 -8.386 -6.527 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 76.564 -10.005 -4.728 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.069 -9.613 -5.980 1.00 0.00 C ATOM 0 H TRP A 77 78.169 -4.678 -2.015 1.00 0.00 H new ATOM 0 HA TRP A 77 77.908 -7.636 -1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 77 80.110 -5.887 -2.832 1.00 0.00 H new ATOM 0 HB3 TRP A 77 80.154 -7.637 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 77 79.249 -4.983 -5.005 1.00 0.00 H new ATOM 0 HE1 TRP A 77 77.715 -5.780 -6.910 1.00 0.00 H new ATOM 0 HE3 TRP A 77 77.818 -9.479 -3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 76.075 -8.079 -7.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 76.268 -10.954 -4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 77 75.393 -10.259 -6.521 1.00 0.00 H new ATOM 1264 N THR A 78 80.494 -7.350 -0.329 1.00 0.00 N ATOM 1265 CA THR A 78 81.351 -7.308 0.892 1.00 0.00 C ATOM 1266 C THR A 78 82.827 -7.339 0.479 1.00 0.00 C ATOM 1267 O THR A 78 83.174 -7.551 -0.666 1.00 0.00 O ATOM 1268 CB THR A 78 81.016 -8.524 1.805 1.00 0.00 C ATOM 1269 OG1 THR A 78 79.841 -9.155 1.319 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.780 -8.094 3.261 1.00 0.00 C ATOM 0 H THR A 78 80.853 -7.922 -1.093 1.00 0.00 H new ATOM 0 HA THR A 78 81.159 -6.390 1.447 1.00 0.00 H new ATOM 0 HB THR A 78 81.865 -9.207 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.533 -9.819 1.971 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.549 -8.971 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.678 -7.612 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.946 -7.394 3.303 1.00 0.00 H new ATOM 1278 N LEU A 79 83.680 -7.131 1.431 1.00 0.00 N ATOM 1279 CA LEU A 79 85.149 -7.139 1.184 1.00 0.00 C ATOM 1280 C LEU A 79 85.497 -8.383 0.375 1.00 0.00 C ATOM 1281 O LEU A 79 85.979 -8.316 -0.735 1.00 0.00 O ATOM 1282 CB LEU A 79 85.877 -7.236 2.530 1.00 0.00 C ATOM 1283 CG LEU A 79 85.861 -5.901 3.289 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.426 -5.412 3.478 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.499 -6.109 4.673 1.00 0.00 C ATOM 0 H LEU A 79 83.418 -6.950 2.400 1.00 0.00 H new ATOM 0 HA LEU A 79 85.442 -6.234 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.408 -8.007 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.909 -7.546 2.363 1.00 0.00 H new ATOM 0 HG LEU A 79 86.418 -5.160 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.432 -4.465 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.958 -5.271 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.862 -6.150 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.493 -5.167 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.930 -6.855 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.526 -6.452 4.552 1.00 0.00 H new ATOM 1297 N ASP A 80 85.247 -9.520 0.953 1.00 0.00 N ATOM 1298 CA ASP A 80 85.540 -10.812 0.281 1.00 0.00 C ATOM 1299 C ASP A 80 85.047 -10.777 -1.152 1.00 0.00 C ATOM 1300 O ASP A 80 85.762 -11.086 -2.084 1.00 0.00 O ATOM 1301 CB ASP A 80 84.785 -11.905 1.017 1.00 0.00 C ATOM 1302 CG ASP A 80 85.165 -13.272 0.447 1.00 0.00 C ATOM 1303 OD1 ASP A 80 84.417 -13.780 -0.371 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.199 -13.789 0.839 1.00 0.00 O ATOM 0 H ASP A 80 84.842 -9.610 1.885 1.00 0.00 H new ATOM 0 HA ASP A 80 86.615 -10.994 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.018 -11.867 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.711 -11.746 0.920 1.00 0.00 H new ATOM 1309 N LYS A 81 83.812 -10.420 -1.322 1.00 0.00 N ATOM 1310 CA LYS A 81 83.221 -10.375 -2.681 1.00 0.00 C ATOM 1311 C LYS A 81 84.190 -9.696 -3.641 1.00 0.00 C ATOM 1312 O LYS A 81 84.562 -10.242 -4.661 1.00 0.00 O ATOM 1313 CB LYS A 81 81.921 -9.576 -2.640 1.00 0.00 C ATOM 1314 CG LYS A 81 81.129 -9.908 -1.370 1.00 0.00 C ATOM 1315 CD LYS A 81 80.985 -11.422 -1.200 1.00 0.00 C ATOM 1316 CE LYS A 81 80.034 -11.727 -0.034 1.00 0.00 C ATOM 1317 NZ LYS A 81 79.462 -13.093 -0.205 1.00 0.00 N ATOM 0 H LYS A 81 83.178 -10.154 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 81 83.023 -11.392 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.142 -8.509 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.320 -9.802 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 81 81.633 -9.486 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.142 -9.448 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 81 80.602 -11.865 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 81 81.961 -11.870 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.569 -11.661 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 81 79.234 -10.988 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 78.818 -13.301 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 78.937 -13.140 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 80.231 -13.793 -0.217 1.00 0.00 H new ATOM 1331 N TYR A 82 84.594 -8.505 -3.321 1.00 0.00 N ATOM 1332 CA TYR A 82 85.536 -7.788 -4.219 1.00 0.00 C ATOM 1333 C TYR A 82 86.926 -8.426 -4.096 1.00 0.00 C ATOM 1334 O TYR A 82 87.612 -8.628 -5.078 1.00 0.00 O ATOM 1335 CB TYR A 82 85.576 -6.296 -3.825 1.00 0.00 C ATOM 1336 CG TYR A 82 85.743 -5.426 -5.060 1.00 0.00 C ATOM 1337 CD1 TYR A 82 84.792 -4.440 -5.361 1.00 0.00 C ATOM 1338 CD2 TYR A 82 86.845 -5.612 -5.903 1.00 0.00 C ATOM 1339 CE1 TYR A 82 84.947 -3.643 -6.502 1.00 0.00 C ATOM 1340 CE2 TYR A 82 86.999 -4.814 -7.042 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.050 -3.831 -7.342 1.00 0.00 C ATOM 1342 OH TYR A 82 86.203 -3.046 -8.467 1.00 0.00 O ATOM 0 H TYR A 82 84.316 -7.997 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 82 85.207 -7.863 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 82 84.657 -6.026 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.399 -6.118 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 82 83.940 -4.295 -4.713 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.577 -6.372 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 82 84.215 -2.883 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 82 87.851 -4.957 -7.690 1.00 0.00 H new ATOM 0 HH TYR A 82 87.022 -3.306 -8.938 1.00 0.00 H new ATOM 1352 N GLY A 83 87.339 -8.753 -2.894 1.00 0.00 N ATOM 1353 CA GLY A 83 88.682 -9.387 -2.688 1.00 0.00 C ATOM 1354 C GLY A 83 89.501 -8.511 -1.745 1.00 0.00 C ATOM 1355 O GLY A 83 90.673 -8.741 -1.519 1.00 0.00 O ATOM 0 H GLY A 83 86.800 -8.607 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.567 -10.387 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.197 -9.498 -3.642 1.00 0.00 H new ATOM 1359 N ILE A 84 88.887 -7.505 -1.193 1.00 0.00 N ATOM 1360 CA ILE A 84 89.611 -6.604 -0.261 1.00 0.00 C ATOM 1361 C ILE A 84 90.077 -7.404 0.954 1.00 0.00 C ATOM 1362 O ILE A 84 89.580 -8.476 1.233 1.00 0.00 O ATOM 1363 CB ILE A 84 88.670 -5.482 0.179 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.260 -4.649 -1.045 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.380 -4.579 1.188 1.00 0.00 C ATOM 1366 CD1 ILE A 84 86.939 -3.925 -0.764 1.00 0.00 C ATOM 0 H ILE A 84 87.907 -7.267 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 84 90.480 -6.172 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 84 87.784 -5.917 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.039 -3.924 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.153 -5.295 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.706 -3.781 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.673 -5.166 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.267 -4.146 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 84 86.654 -3.336 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.161 -4.658 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.061 -3.265 0.095 1.00 0.00 H new ATOM 1378 N GLN A 85 91.029 -6.889 1.673 1.00 0.00 N ATOM 1379 CA GLN A 85 91.541 -7.606 2.871 1.00 0.00 C ATOM 1380 C GLN A 85 92.488 -6.675 3.636 1.00 0.00 C ATOM 1381 O GLN A 85 92.515 -5.481 3.415 1.00 0.00 O ATOM 1382 CB GLN A 85 92.296 -8.878 2.424 1.00 0.00 C ATOM 1383 CG GLN A 85 92.155 -9.993 3.485 1.00 0.00 C ATOM 1384 CD GLN A 85 90.895 -10.815 3.214 1.00 0.00 C ATOM 1385 OE1 GLN A 85 90.916 -12.028 3.279 1.00 0.00 O ATOM 1386 NE2 GLN A 85 89.795 -10.195 2.911 1.00 0.00 N ATOM 0 H GLN A 85 91.479 -5.994 1.481 1.00 0.00 H new ATOM 0 HA GLN A 85 90.713 -7.895 3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 85 91.902 -9.225 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 85 93.350 -8.647 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.032 -10.639 3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.106 -9.554 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 85 89.782 -9.176 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.944 -10.727 2.727 1.00 0.00 H new ATOM 1395 N ALA A 86 93.264 -7.217 4.529 1.00 0.00 N ATOM 1396 CA ALA A 86 94.212 -6.375 5.310 1.00 0.00 C ATOM 1397 C ALA A 86 95.345 -5.899 4.403 1.00 0.00 C ATOM 1398 O ALA A 86 95.980 -4.896 4.660 1.00 0.00 O ATOM 1399 CB ALA A 86 94.795 -7.215 6.446 1.00 0.00 C ATOM 0 H ALA A 86 93.284 -8.212 4.754 1.00 0.00 H new ATOM 0 HA ALA A 86 93.688 -5.509 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.491 -6.609 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 86 93.989 -7.561 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.321 -8.074 6.030 1.00 0.00 H new ATOM 1405 N ASP A 87 95.609 -6.613 3.350 1.00 0.00 N ATOM 1406 CA ASP A 87 96.704 -6.201 2.439 1.00 0.00 C ATOM 1407 C ASP A 87 96.220 -5.030 1.593 1.00 0.00 C ATOM 1408 O ASP A 87 96.985 -4.374 0.914 1.00 0.00 O ATOM 1409 CB ASP A 87 97.074 -7.372 1.533 1.00 0.00 C ATOM 1410 CG ASP A 87 95.823 -7.874 0.811 1.00 0.00 C ATOM 1411 OD1 ASP A 87 94.866 -7.120 0.732 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.842 -9.002 0.348 1.00 0.00 O ATOM 0 H ASP A 87 95.114 -7.463 3.081 1.00 0.00 H new ATOM 0 HA ASP A 87 97.580 -5.903 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 87 97.825 -7.061 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 87 97.514 -8.176 2.122 1.00 0.00 H new ATOM 1417 N ALA A 88 94.945 -4.769 1.636 1.00 0.00 N ATOM 1418 CA ALA A 88 94.369 -3.647 0.848 1.00 0.00 C ATOM 1419 C ALA A 88 94.179 -2.444 1.776 1.00 0.00 C ATOM 1420 O ALA A 88 93.381 -2.479 2.688 1.00 0.00 O ATOM 1421 CB ALA A 88 93.018 -4.108 0.296 1.00 0.00 C ATOM 0 H ALA A 88 94.269 -5.293 2.191 1.00 0.00 H new ATOM 0 HA ALA A 88 95.026 -3.361 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.570 -3.304 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.164 -4.981 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.357 -4.368 1.123 1.00 0.00 H new ATOM 1427 N LYS A 89 94.911 -1.382 1.559 1.00 0.00 N ATOM 1428 CA LYS A 89 94.768 -0.182 2.441 1.00 0.00 C ATOM 1429 C LYS A 89 93.788 0.802 1.817 1.00 0.00 C ATOM 1430 O LYS A 89 94.008 1.340 0.750 1.00 0.00 O ATOM 1431 CB LYS A 89 96.125 0.508 2.642 1.00 0.00 C ATOM 1432 CG LYS A 89 97.245 -0.527 2.808 1.00 0.00 C ATOM 1433 CD LYS A 89 97.130 -1.245 4.164 1.00 0.00 C ATOM 1434 CE LYS A 89 97.846 -2.591 4.085 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.262 -2.379 3.672 1.00 0.00 N ATOM 0 H LYS A 89 95.600 -1.292 0.812 1.00 0.00 H new ATOM 0 HA LYS A 89 94.393 -0.510 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.341 1.150 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.084 1.150 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.195 -1.257 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.215 -0.035 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.569 -0.632 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.081 -1.393 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.810 -3.091 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.341 -3.242 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.811 -3.242 3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.298 -2.161 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.666 -1.587 4.211 1.00 0.00 H new ATOM 1449 N LEU A 90 92.707 1.039 2.496 1.00 0.00 N ATOM 1450 CA LEU A 90 91.676 1.990 1.994 1.00 0.00 C ATOM 1451 C LEU A 90 91.938 3.373 2.583 1.00 0.00 C ATOM 1452 O LEU A 90 92.842 3.566 3.365 1.00 0.00 O ATOM 1453 CB LEU A 90 90.281 1.508 2.398 1.00 0.00 C ATOM 1454 CG LEU A 90 90.197 -0.005 2.220 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.763 -0.472 2.478 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.611 -0.384 0.793 1.00 0.00 C ATOM 0 H LEU A 90 92.487 0.608 3.394 1.00 0.00 H new ATOM 0 HA LEU A 90 91.729 2.042 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.078 1.775 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.523 2.000 1.788 1.00 0.00 H new ATOM 0 HG LEU A 90 90.870 -0.488 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.704 -1.553 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.473 -0.210 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.090 0.014 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.549 -1.465 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 90 89.944 0.100 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.635 -0.056 0.612 1.00 0.00 H new ATOM 1468 N GLN A 91 91.162 4.339 2.186 1.00 0.00 N ATOM 1469 CA GLN A 91 91.330 5.731 2.699 1.00 0.00 C ATOM 1470 C GLN A 91 89.949 6.261 3.088 1.00 0.00 C ATOM 1471 O GLN A 91 88.943 5.689 2.727 1.00 0.00 O ATOM 1472 CB GLN A 91 91.883 6.643 1.594 1.00 0.00 C ATOM 1473 CG GLN A 91 93.136 6.034 0.936 1.00 0.00 C ATOM 1474 CD GLN A 91 93.293 6.587 -0.472 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.083 6.094 -1.252 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.570 7.604 -0.824 1.00 0.00 N ATOM 0 H GLN A 91 90.403 4.223 1.515 1.00 0.00 H new ATOM 0 HA GLN A 91 92.016 5.723 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.116 6.806 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.129 7.618 2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.020 6.267 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.051 4.948 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 91 91.909 8.013 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.662 7.995 -1.761 1.00 0.00 H new ATOM 1485 N PHE A 92 89.896 7.366 3.786 1.00 0.00 N ATOM 1486 CA PHE A 92 88.581 7.973 4.171 1.00 0.00 C ATOM 1487 C PHE A 92 88.585 9.407 3.642 1.00 0.00 C ATOM 1488 O PHE A 92 89.193 10.292 4.211 1.00 0.00 O ATOM 1489 CB PHE A 92 88.434 7.931 5.698 1.00 0.00 C ATOM 1490 CG PHE A 92 87.328 8.850 6.168 1.00 0.00 C ATOM 1491 CD1 PHE A 92 86.016 8.369 6.260 1.00 0.00 C ATOM 1492 CD2 PHE A 92 87.614 10.170 6.538 1.00 0.00 C ATOM 1493 CE1 PHE A 92 84.993 9.207 6.721 1.00 0.00 C ATOM 1494 CE2 PHE A 92 86.590 11.008 6.996 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.280 10.526 7.090 1.00 0.00 C ATOM 0 H PHE A 92 90.715 7.881 4.110 1.00 0.00 H new ATOM 0 HA PHE A 92 87.736 7.428 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.222 6.911 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.375 8.222 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.793 7.351 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 92 88.626 10.542 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 92 83.982 8.835 6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 92 86.812 12.027 7.277 1.00 0.00 H new ATOM 0 HZ PHE A 92 84.491 11.171 7.447 1.00 0.00 H new ATOM 1505 N THR A 93 87.960 9.627 2.511 1.00 0.00 N ATOM 1506 CA THR A 93 87.980 10.995 1.891 1.00 0.00 C ATOM 1507 C THR A 93 86.672 11.277 1.134 1.00 0.00 C ATOM 1508 O THR A 93 85.959 10.370 0.756 1.00 0.00 O ATOM 1509 CB THR A 93 89.156 11.055 0.889 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.800 11.852 -0.233 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.501 9.646 0.395 1.00 0.00 C ATOM 0 H THR A 93 87.438 8.923 1.990 1.00 0.00 H new ATOM 0 HA THR A 93 88.092 11.740 2.679 1.00 0.00 H new ATOM 0 HB THR A 93 90.017 11.490 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.551 11.886 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.330 9.701 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.786 9.023 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.632 9.211 -0.100 1.00 0.00 H new ATOM 1642 N SER B 547 55.874 28.615 10.672 1.00 0.00 N ATOM 1643 CA SER B 547 55.404 27.663 11.715 1.00 0.00 C ATOM 1644 C SER B 547 56.467 27.590 12.807 1.00 0.00 C ATOM 1645 O SER B 547 57.593 27.244 12.549 1.00 0.00 O ATOM 1646 CB SER B 547 55.213 26.283 11.079 1.00 0.00 C ATOM 1647 OG SER B 547 53.888 26.181 10.571 1.00 0.00 O ATOM 0 HA SER B 547 54.457 27.993 12.142 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.935 26.136 10.276 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.394 25.501 11.817 1.00 0.00 H new ATOM 0 HG SER B 547 53.762 25.300 10.161 1.00 0.00 H new ATOM 1653 N LEU B 548 56.136 27.928 14.015 1.00 0.00 N ATOM 1654 CA LEU B 548 57.159 27.891 15.091 1.00 0.00 C ATOM 1655 C LEU B 548 57.713 26.478 15.254 1.00 0.00 C ATOM 1656 O LEU B 548 56.976 25.524 15.316 1.00 0.00 O ATOM 1657 CB LEU B 548 56.523 28.365 16.417 1.00 0.00 C ATOM 1658 CG LEU B 548 56.875 29.842 16.677 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.141 30.740 15.677 1.00 0.00 C ATOM 1660 CD2 LEU B 548 56.471 30.233 18.095 1.00 0.00 C ATOM 0 H LEU B 548 55.205 28.228 14.305 1.00 0.00 H new ATOM 0 HA LEU B 548 57.982 28.554 14.823 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.441 28.244 16.374 1.00 0.00 H new ATOM 0 HB3 LEU B 548 56.880 27.748 17.241 1.00 0.00 H new ATOM 0 HG LEU B 548 57.951 29.970 16.558 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.396 31.782 15.869 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.439 30.474 14.663 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.065 30.604 15.787 1.00 0.00 H new ATOM 0 HD21 LEU B 548 56.724 31.279 18.270 1.00 0.00 H new ATOM 0 HD22 LEU B 548 55.397 30.093 18.219 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.003 29.607 18.811 1.00 0.00 H new ATOM 1672 N CYS B 549 59.012 26.352 15.373 1.00 0.00 N ATOM 1673 CA CYS B 549 59.607 25.008 15.574 1.00 0.00 C ATOM 1674 C CYS B 549 59.512 24.728 17.065 1.00 0.00 C ATOM 1675 O CYS B 549 60.234 25.283 17.867 1.00 0.00 O ATOM 1676 CB CYS B 549 61.079 25.053 15.124 1.00 0.00 C ATOM 1677 SG CYS B 549 62.068 23.755 15.934 1.00 0.00 S ATOM 0 H CYS B 549 59.679 27.123 15.339 1.00 0.00 H new ATOM 0 HA CYS B 549 59.098 24.232 15.002 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.133 24.931 14.042 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.501 26.031 15.356 1.00 0.00 H new ATOM 0 HG CYS B 549 62.995 24.306 16.661 1.00 0.00 H new ATOM 1682 N SER B 550 58.586 23.897 17.438 1.00 0.00 N ATOM 1683 CA SER B 550 58.387 23.604 18.881 1.00 0.00 C ATOM 1684 C SER B 550 59.710 23.216 19.510 1.00 0.00 C ATOM 1685 O SER B 550 60.435 22.370 19.025 1.00 0.00 O ATOM 1686 CB SER B 550 57.341 22.510 19.071 1.00 0.00 C ATOM 1687 OG SER B 550 57.362 22.071 20.423 1.00 0.00 O ATOM 0 H SER B 550 57.955 23.406 16.804 1.00 0.00 H new ATOM 0 HA SER B 550 58.016 24.500 19.379 1.00 0.00 H new ATOM 0 HB2 SER B 550 56.351 22.888 18.815 1.00 0.00 H new ATOM 0 HB3 SER B 550 57.546 21.674 18.402 1.00 0.00 H new ATOM 0 HG SER B 550 56.450 22.075 20.782 1.00 0.00 H new ATOM 1693 N GLY B 551 60.040 23.886 20.572 1.00 0.00 N ATOM 1694 CA GLY B 551 61.338 23.653 21.266 1.00 0.00 C ATOM 1695 C GLY B 551 62.180 24.886 21.006 1.00 0.00 C ATOM 1696 O GLY B 551 62.936 25.344 21.841 1.00 0.00 O ATOM 0 H GLY B 551 59.454 24.602 21.001 1.00 0.00 H new ATOM 0 HA2 GLY B 551 61.187 23.502 22.335 1.00 0.00 H new ATOM 0 HA3 GLY B 551 61.829 22.758 20.884 1.00 0.00 H new ATOM 1700 N CYS B 552 62.011 25.441 19.841 1.00 0.00 N ATOM 1701 CA CYS B 552 62.735 26.671 19.458 1.00 0.00 C ATOM 1702 C CYS B 552 61.733 27.820 19.510 1.00 0.00 C ATOM 1703 O CYS B 552 62.050 28.939 19.858 1.00 0.00 O ATOM 1704 CB CYS B 552 63.214 26.511 18.018 1.00 0.00 C ATOM 1705 SG CYS B 552 64.770 25.592 17.972 1.00 0.00 S ATOM 0 H CYS B 552 61.383 25.080 19.123 1.00 0.00 H new ATOM 0 HA CYS B 552 63.581 26.858 20.119 1.00 0.00 H new ATOM 0 HB2 CYS B 552 62.458 25.988 17.432 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.349 27.492 17.562 1.00 0.00 H new ATOM 0 HG CYS B 552 65.206 25.538 16.749 1.00 0.00 H new ATOM 1710 N GLN B 553 60.521 27.527 19.136 1.00 0.00 N ATOM 1711 CA GLN B 553 59.457 28.553 19.107 1.00 0.00 C ATOM 1712 C GLN B 553 59.892 29.727 18.252 1.00 0.00 C ATOM 1713 O GLN B 553 59.888 30.870 18.658 1.00 0.00 O ATOM 1714 CB GLN B 553 59.086 28.996 20.508 1.00 0.00 C ATOM 1715 CG GLN B 553 58.450 27.810 21.233 1.00 0.00 C ATOM 1716 CD GLN B 553 57.102 27.444 20.604 1.00 0.00 C ATOM 1717 OE1 GLN B 553 56.061 27.869 21.065 1.00 0.00 O ATOM 1718 NE2 GLN B 553 57.088 26.665 19.557 1.00 0.00 N ATOM 0 H GLN B 553 60.221 26.597 18.843 1.00 0.00 H new ATOM 0 HA GLN B 553 58.564 28.116 18.661 1.00 0.00 H new ATOM 0 HB2 GLN B 553 59.971 29.339 21.045 1.00 0.00 H new ATOM 0 HB3 GLN B 553 58.391 29.835 20.470 1.00 0.00 H new ATOM 0 HG2 GLN B 553 59.120 26.951 21.192 1.00 0.00 H new ATOM 0 HG3 GLN B 553 58.310 28.055 22.286 1.00 0.00 H new ATOM 0 HE21 GLN B 553 57.964 26.311 19.173 1.00 0.00 H new ATOM 0 HE22 GLN B 553 56.201 26.411 19.122 1.00 0.00 H new ATOM 1727 N LYS B 554 60.220 29.413 17.040 1.00 0.00 N ATOM 1728 CA LYS B 554 60.629 30.437 16.032 1.00 0.00 C ATOM 1729 C LYS B 554 60.008 30.017 14.681 1.00 0.00 C ATOM 1730 O LYS B 554 60.219 28.901 14.249 1.00 0.00 O ATOM 1731 CB LYS B 554 62.155 30.466 15.891 1.00 0.00 C ATOM 1732 CG LYS B 554 62.805 30.906 17.209 1.00 0.00 C ATOM 1733 CD LYS B 554 62.461 32.374 17.515 1.00 0.00 C ATOM 1734 CE LYS B 554 63.504 32.968 18.470 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.731 33.327 17.705 1.00 0.00 N ATOM 0 H LYS B 554 60.224 28.456 16.686 1.00 0.00 H new ATOM 0 HA LYS B 554 60.292 31.427 16.340 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.520 29.478 15.610 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.440 31.150 15.091 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.460 30.268 18.023 1.00 0.00 H new ATOM 0 HG3 LYS B 554 63.886 30.785 17.146 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.433 32.950 16.590 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.469 32.438 17.961 1.00 0.00 H new ATOM 0 HE2 LYS B 554 63.099 33.851 18.964 1.00 0.00 H new ATOM 0 HE3 LYS B 554 63.748 32.249 19.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.354 33.909 18.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 65.232 32.460 17.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 64.465 33.863 16.854 1.00 0.00 H new ATOM 1749 N PRO B 555 59.229 30.849 14.016 1.00 0.00 N ATOM 1750 CA PRO B 555 58.596 30.437 12.730 1.00 0.00 C ATOM 1751 C PRO B 555 59.523 29.698 11.766 1.00 0.00 C ATOM 1752 O PRO B 555 60.650 30.083 11.523 1.00 0.00 O ATOM 1753 CB PRO B 555 58.149 31.775 12.145 1.00 0.00 C ATOM 1754 CG PRO B 555 58.041 32.768 13.313 1.00 0.00 C ATOM 1755 CD PRO B 555 58.903 32.229 14.474 1.00 0.00 C ATOM 0 HA PRO B 555 57.797 29.714 12.894 1.00 0.00 H new ATOM 0 HB2 PRO B 555 58.865 32.129 11.404 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.190 31.672 11.638 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.387 33.756 13.008 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.003 32.877 13.627 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.800 32.829 14.627 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.357 32.226 15.418 1.00 0.00 H new ATOM 1763 N ILE B 556 59.012 28.640 11.209 1.00 0.00 N ATOM 1764 CA ILE B 556 59.776 27.826 10.234 1.00 0.00 C ATOM 1765 C ILE B 556 59.425 28.332 8.832 1.00 0.00 C ATOM 1766 O ILE B 556 58.391 28.001 8.287 1.00 0.00 O ATOM 1767 CB ILE B 556 59.335 26.371 10.392 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.810 25.819 11.759 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.934 25.535 9.270 1.00 0.00 C ATOM 1770 CD1 ILE B 556 58.915 24.645 12.212 1.00 0.00 C ATOM 0 H ILE B 556 58.069 28.298 11.396 1.00 0.00 H new ATOM 0 HA ILE B 556 60.851 27.901 10.395 1.00 0.00 H new ATOM 0 HB ILE B 556 58.247 26.320 10.346 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.845 25.486 11.683 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.784 26.612 12.506 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.620 24.497 9.382 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.590 25.916 8.309 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.022 25.592 9.315 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.265 24.271 13.174 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.885 24.989 12.309 1.00 0.00 H new ATOM 0 HD13 ILE B 556 58.962 23.845 11.473 1.00 0.00 H new ATOM 1782 N THR B 557 60.256 29.167 8.260 1.00 0.00 N ATOM 1783 CA THR B 557 59.948 29.738 6.909 1.00 0.00 C ATOM 1784 C THR B 557 60.690 28.985 5.804 1.00 0.00 C ATOM 1785 O THR B 557 61.802 29.310 5.439 1.00 0.00 O ATOM 1786 CB THR B 557 60.356 31.209 6.906 1.00 0.00 C ATOM 1787 OG1 THR B 557 61.758 31.313 6.697 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.986 31.824 8.257 1.00 0.00 C ATOM 0 H THR B 557 61.136 29.480 8.670 1.00 0.00 H new ATOM 0 HA THR B 557 58.881 29.637 6.712 1.00 0.00 H new ATOM 0 HB THR B 557 59.839 31.738 6.106 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.993 30.897 5.841 1.00 0.00 H new ATOM 0 HG21 THR B 557 60.272 32.876 8.269 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.911 31.739 8.413 1.00 0.00 H new ATOM 0 HG23 THR B 557 60.511 31.296 9.053 1.00 0.00 H new ATOM 1796 N GLY B 558 60.056 27.985 5.266 1.00 0.00 N ATOM 1797 CA GLY B 558 60.664 27.182 4.172 1.00 0.00 C ATOM 1798 C GLY B 558 60.019 25.802 4.201 1.00 0.00 C ATOM 1799 O GLY B 558 58.935 25.596 3.693 1.00 0.00 O ATOM 0 H GLY B 558 59.122 27.684 5.544 1.00 0.00 H new ATOM 0 HA2 GLY B 558 60.499 27.662 3.207 1.00 0.00 H new ATOM 0 HA3 GLY B 558 61.743 27.104 4.308 1.00 0.00 H new ATOM 1803 N ARG B 559 60.669 24.869 4.831 1.00 0.00 N ATOM 1804 CA ARG B 559 60.118 23.492 4.962 1.00 0.00 C ATOM 1805 C ARG B 559 59.783 23.288 6.431 1.00 0.00 C ATOM 1806 O ARG B 559 60.392 23.890 7.292 1.00 0.00 O ATOM 1807 CB ARG B 559 61.186 22.477 4.522 1.00 0.00 C ATOM 1808 CG ARG B 559 61.098 22.247 3.003 1.00 0.00 C ATOM 1809 CD ARG B 559 60.057 21.161 2.695 1.00 0.00 C ATOM 1810 NE ARG B 559 59.670 21.215 1.244 1.00 0.00 N ATOM 1811 CZ ARG B 559 59.133 22.280 0.712 1.00 0.00 C ATOM 1812 NH1 ARG B 559 58.914 22.320 -0.574 1.00 0.00 N ATOM 1813 NH2 ARG B 559 58.770 23.286 1.461 1.00 0.00 N ATOM 0 H ARG B 559 61.579 25.004 5.271 1.00 0.00 H new ATOM 0 HA ARG B 559 59.233 23.355 4.341 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.178 22.843 4.786 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.043 21.534 5.050 1.00 0.00 H new ATOM 0 HG2 ARG B 559 60.826 23.176 2.502 1.00 0.00 H new ATOM 0 HG3 ARG B 559 62.072 21.949 2.615 1.00 0.00 H new ATOM 0 HD2 ARG B 559 60.463 20.178 2.935 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.176 21.303 3.320 1.00 0.00 H new ATOM 0 HE ARG B 559 59.831 20.396 0.658 1.00 0.00 H new ATOM 0 HH11 ARG B 559 59.162 21.522 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG B 559 58.495 23.149 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG B 559 58.905 23.245 2.471 1.00 0.00 H new ATOM 0 HH22 ARG B 559 58.351 24.113 1.036 1.00 0.00 H new ATOM 1827 N CYS B 560 58.826 22.459 6.743 1.00 0.00 N ATOM 1828 CA CYS B 560 58.485 22.249 8.180 1.00 0.00 C ATOM 1829 C CYS B 560 58.081 20.815 8.451 1.00 0.00 C ATOM 1830 O CYS B 560 57.188 20.266 7.837 1.00 0.00 O ATOM 1831 CB CYS B 560 57.354 23.187 8.595 1.00 0.00 C ATOM 1832 SG CYS B 560 55.925 22.931 7.514 1.00 0.00 S ATOM 0 H CYS B 560 58.271 21.923 6.076 1.00 0.00 H new ATOM 0 HA CYS B 560 59.377 22.469 8.767 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.076 23.001 9.632 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.687 24.223 8.535 1.00 0.00 H new ATOM 0 HG CYS B 560 55.813 21.666 7.235 1.00 0.00 H new ATOM 1838 N ILE B 561 58.733 20.218 9.406 1.00 0.00 N ATOM 1839 CA ILE B 561 58.414 18.832 9.788 1.00 0.00 C ATOM 1840 C ILE B 561 57.372 18.885 10.875 1.00 0.00 C ATOM 1841 O ILE B 561 57.360 19.774 11.698 1.00 0.00 O ATOM 1842 CB ILE B 561 59.674 18.171 10.325 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.667 18.109 9.178 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.376 16.752 10.836 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.921 17.371 9.620 1.00 0.00 C ATOM 0 H ILE B 561 59.486 20.647 9.944 1.00 0.00 H new ATOM 0 HA ILE B 561 58.044 18.265 8.934 1.00 0.00 H new ATOM 0 HB ILE B 561 60.072 18.743 11.163 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.218 17.602 8.324 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.923 19.117 8.852 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.293 16.301 11.215 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.639 16.801 11.637 1.00 0.00 H new ATOM 0 HG23 ILE B 561 58.984 16.146 10.019 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.630 17.330 8.793 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.375 17.896 10.461 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.659 16.358 9.924 1.00 0.00 H new ATOM 1857 N THR B 562 56.506 17.927 10.876 1.00 0.00 N ATOM 1858 CA THR B 562 55.429 17.865 11.907 1.00 0.00 C ATOM 1859 C THR B 562 55.583 16.587 12.705 1.00 0.00 C ATOM 1860 O THR B 562 56.018 15.568 12.206 1.00 0.00 O ATOM 1861 CB THR B 562 54.043 17.895 11.265 1.00 0.00 C ATOM 1862 OG1 THR B 562 53.996 18.917 10.279 1.00 0.00 O ATOM 1863 CG2 THR B 562 52.997 18.174 12.351 1.00 0.00 C ATOM 0 H THR B 562 56.491 17.166 10.197 1.00 0.00 H new ATOM 0 HA THR B 562 55.522 18.735 12.557 1.00 0.00 H new ATOM 0 HB THR B 562 53.834 16.935 10.792 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.107 18.934 9.867 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.004 18.197 11.902 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.036 17.387 13.105 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.206 19.136 12.819 1.00 0.00 H new ATOM 1871 N ALA B 563 55.246 16.655 13.954 1.00 0.00 N ATOM 1872 CA ALA B 563 55.370 15.485 14.856 1.00 0.00 C ATOM 1873 C ALA B 563 54.013 15.182 15.476 1.00 0.00 C ATOM 1874 O ALA B 563 53.012 15.071 14.795 1.00 0.00 O ATOM 1875 CB ALA B 563 56.381 15.825 15.940 1.00 0.00 C ATOM 0 H ALA B 563 54.879 17.496 14.401 1.00 0.00 H new ATOM 0 HA ALA B 563 55.705 14.607 14.304 1.00 0.00 H new ATOM 0 HB1 ALA B 563 56.488 14.977 16.616 1.00 0.00 H new ATOM 0 HB2 ALA B 563 57.345 16.048 15.482 1.00 0.00 H new ATOM 0 HB3 ALA B 563 56.036 16.694 16.500 1.00 0.00 H new ATOM 1881 N MET B 564 53.976 15.051 16.765 1.00 0.00 N ATOM 1882 CA MET B 564 52.700 14.762 17.475 1.00 0.00 C ATOM 1883 C MET B 564 51.766 15.960 17.332 1.00 0.00 C ATOM 1884 O MET B 564 50.941 16.215 18.182 1.00 0.00 O ATOM 1885 CB MET B 564 53.015 14.544 18.950 1.00 0.00 C ATOM 1886 CG MET B 564 54.340 13.790 19.082 1.00 0.00 C ATOM 1887 SD MET B 564 54.477 13.098 20.749 1.00 0.00 S ATOM 1888 CE MET B 564 55.456 11.640 20.311 1.00 0.00 C ATOM 0 H MET B 564 54.791 15.133 17.373 1.00 0.00 H new ATOM 0 HA MET B 564 52.222 13.877 17.055 1.00 0.00 H new ATOM 0 HB2 MET B 564 53.077 15.503 19.465 1.00 0.00 H new ATOM 0 HB3 MET B 564 52.213 13.978 19.424 1.00 0.00 H new ATOM 0 HG2 MET B 564 54.393 12.993 18.340 1.00 0.00 H new ATOM 0 HG3 MET B 564 55.175 14.463 18.886 1.00 0.00 H new ATOM 0 HE1 MET B 564 55.661 11.056 21.208 1.00 0.00 H new ATOM 0 HE2 MET B 564 54.901 11.029 19.599 1.00 0.00 H new ATOM 0 HE3 MET B 564 56.397 11.956 19.861 1.00 0.00 H new ATOM 1898 N ALA B 565 51.960 16.688 16.271 1.00 0.00 N ATOM 1899 CA ALA B 565 51.194 17.929 15.948 1.00 0.00 C ATOM 1900 C ALA B 565 52.151 19.092 16.134 1.00 0.00 C ATOM 1901 O ALA B 565 51.869 20.217 15.771 1.00 0.00 O ATOM 1902 CB ALA B 565 49.967 18.136 16.840 1.00 0.00 C ATOM 0 H ALA B 565 52.664 16.458 15.569 1.00 0.00 H new ATOM 0 HA ALA B 565 50.816 17.851 14.929 1.00 0.00 H new ATOM 0 HB1 ALA B 565 49.458 19.055 16.551 1.00 0.00 H new ATOM 0 HB2 ALA B 565 49.287 17.292 16.724 1.00 0.00 H new ATOM 0 HB3 ALA B 565 50.282 18.208 17.881 1.00 0.00 H new ATOM 1908 N LYS B 566 53.304 18.816 16.685 1.00 0.00 N ATOM 1909 CA LYS B 566 54.307 19.892 16.882 1.00 0.00 C ATOM 1910 C LYS B 566 55.047 20.099 15.567 1.00 0.00 C ATOM 1911 O LYS B 566 55.076 19.227 14.730 1.00 0.00 O ATOM 1912 CB LYS B 566 55.310 19.458 17.964 1.00 0.00 C ATOM 1913 CG LYS B 566 54.878 19.991 19.333 1.00 0.00 C ATOM 1914 CD LYS B 566 55.622 19.225 20.440 1.00 0.00 C ATOM 1915 CE LYS B 566 54.835 17.959 20.819 1.00 0.00 C ATOM 1916 NZ LYS B 566 55.764 16.956 21.413 1.00 0.00 N ATOM 0 H LYS B 566 53.590 17.891 17.005 1.00 0.00 H new ATOM 0 HA LYS B 566 53.817 20.815 17.192 1.00 0.00 H new ATOM 0 HB2 LYS B 566 55.375 18.370 17.994 1.00 0.00 H new ATOM 0 HB3 LYS B 566 56.304 19.831 17.718 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.095 21.057 19.405 1.00 0.00 H new ATOM 0 HG3 LYS B 566 53.801 19.876 19.457 1.00 0.00 H new ATOM 0 HD2 LYS B 566 56.621 18.954 20.099 1.00 0.00 H new ATOM 0 HD3 LYS B 566 55.746 19.863 21.315 1.00 0.00 H new ATOM 0 HE2 LYS B 566 54.047 18.207 21.530 1.00 0.00 H new ATOM 0 HE3 LYS B 566 54.349 17.542 19.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 55.232 16.100 21.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 56.500 16.712 20.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 56.208 17.356 22.264 1.00 0.00 H new ATOM 1930 N LYS B 567 55.662 21.236 15.392 1.00 0.00 N ATOM 1931 CA LYS B 567 56.427 21.505 14.142 1.00 0.00 C ATOM 1932 C LYS B 567 57.907 21.335 14.464 1.00 0.00 C ATOM 1933 O LYS B 567 58.269 21.107 15.602 1.00 0.00 O ATOM 1934 CB LYS B 567 56.135 22.926 13.660 1.00 0.00 C ATOM 1935 CG LYS B 567 54.664 23.282 13.938 1.00 0.00 C ATOM 1936 CD LYS B 567 53.716 22.297 13.225 1.00 0.00 C ATOM 1937 CE LYS B 567 53.899 22.406 11.709 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.692 21.862 11.024 1.00 0.00 N ATOM 0 H LYS B 567 55.667 21.999 16.069 1.00 0.00 H new ATOM 0 HA LYS B 567 56.139 20.816 13.348 1.00 0.00 H new ATOM 0 HB2 LYS B 567 56.791 23.633 14.167 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.342 23.007 12.593 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.477 23.260 15.012 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.461 24.298 13.599 1.00 0.00 H new ATOM 0 HD2 LYS B 567 53.922 21.278 13.553 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.682 22.515 13.492 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.054 23.447 11.424 1.00 0.00 H new ATOM 0 HE3 LYS B 567 54.786 21.855 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.427 22.489 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.901 20.913 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 51.905 21.804 11.701 1.00 0.00 H new ATOM 1952 N PHE B 568 58.776 21.417 13.498 1.00 0.00 N ATOM 1953 CA PHE B 568 60.216 21.223 13.827 1.00 0.00 C ATOM 1954 C PHE B 568 61.090 21.817 12.733 1.00 0.00 C ATOM 1955 O PHE B 568 60.902 21.549 11.564 1.00 0.00 O ATOM 1956 CB PHE B 568 60.503 19.702 13.935 1.00 0.00 C ATOM 1957 CG PHE B 568 60.507 19.265 15.387 1.00 0.00 C ATOM 1958 CD1 PHE B 568 61.633 19.498 16.185 1.00 0.00 C ATOM 1959 CD2 PHE B 568 59.383 18.629 15.932 1.00 0.00 C ATOM 1960 CE1 PHE B 568 61.637 19.096 17.526 1.00 0.00 C ATOM 1961 CE2 PHE B 568 59.387 18.228 17.273 1.00 0.00 C ATOM 1962 CZ PHE B 568 60.515 18.461 18.070 1.00 0.00 C ATOM 0 H PHE B 568 58.562 21.605 12.519 1.00 0.00 H new ATOM 0 HA PHE B 568 60.440 21.721 14.770 1.00 0.00 H new ATOM 0 HB2 PHE B 568 59.747 19.143 13.383 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.466 19.474 13.478 1.00 0.00 H new ATOM 0 HD1 PHE B 568 62.499 19.988 15.766 1.00 0.00 H new ATOM 0 HD2 PHE B 568 58.514 18.448 15.317 1.00 0.00 H new ATOM 0 HE1 PHE B 568 62.506 19.276 18.141 1.00 0.00 H new ATOM 0 HE2 PHE B 568 58.521 17.739 17.693 1.00 0.00 H new ATOM 0 HZ PHE B 568 60.519 18.151 19.104 1.00 0.00 H new ATOM 1972 N HIS B 569 62.085 22.572 13.107 1.00 0.00 N ATOM 1973 CA HIS B 569 63.006 23.118 12.080 1.00 0.00 C ATOM 1974 C HIS B 569 63.500 21.906 11.273 1.00 0.00 C ATOM 1975 O HIS B 569 64.176 21.061 11.825 1.00 0.00 O ATOM 1976 CB HIS B 569 64.214 23.763 12.768 1.00 0.00 C ATOM 1977 CG HIS B 569 63.930 25.186 13.139 1.00 0.00 C ATOM 1978 ND1 HIS B 569 63.964 25.606 14.455 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.666 26.303 12.388 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.736 26.932 14.459 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.544 27.407 13.224 1.00 0.00 N ATOM 0 H HIS B 569 62.297 22.831 14.071 1.00 0.00 H new ATOM 0 HA HIS B 569 62.511 23.862 11.456 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.472 23.196 13.662 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.078 23.723 12.105 1.00 0.00 H new ATOM 0 HD1 HIS B 569 64.131 25.019 15.272 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.568 26.322 11.313 1.00 0.00 H new ATOM 0 HE1 HIS B 569 63.711 27.539 15.352 1.00 0.00 H new ATOM 1988 N PRO B 570 63.173 21.770 10.013 1.00 0.00 N ATOM 1989 CA PRO B 570 63.638 20.581 9.266 1.00 0.00 C ATOM 1990 C PRO B 570 65.137 20.347 9.496 1.00 0.00 C ATOM 1991 O PRO B 570 65.679 19.311 9.175 1.00 0.00 O ATOM 1992 CB PRO B 570 63.319 20.971 7.816 1.00 0.00 C ATOM 1993 CG PRO B 570 62.259 22.081 7.870 1.00 0.00 C ATOM 1994 CD PRO B 570 62.358 22.750 9.248 1.00 0.00 C ATOM 0 HA PRO B 570 63.168 19.644 9.566 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.216 21.320 7.305 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.948 20.111 7.258 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.427 22.810 7.077 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.263 21.667 7.716 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.840 23.726 9.193 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.377 22.904 9.698 1.00 0.00 H new ATOM 2002 N GLU B 571 65.799 21.323 10.066 1.00 0.00 N ATOM 2003 CA GLU B 571 67.260 21.205 10.331 1.00 0.00 C ATOM 2004 C GLU B 571 67.500 20.642 11.734 1.00 0.00 C ATOM 2005 O GLU B 571 68.235 19.699 11.932 1.00 0.00 O ATOM 2006 CB GLU B 571 67.885 22.602 10.249 1.00 0.00 C ATOM 2007 CG GLU B 571 67.203 23.385 9.134 1.00 0.00 C ATOM 2008 CD GLU B 571 67.994 24.663 8.842 1.00 0.00 C ATOM 2009 OE1 GLU B 571 67.716 25.666 9.477 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.863 24.616 7.987 1.00 0.00 O ATOM 0 H GLU B 571 65.381 22.206 10.361 1.00 0.00 H new ATOM 0 HA GLU B 571 67.707 20.536 9.595 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.770 23.123 11.200 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.955 22.525 10.055 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.137 22.773 8.234 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.183 23.636 9.424 1.00 0.00 H new ATOM 2017 N HIS B 572 66.892 21.235 12.712 1.00 0.00 N ATOM 2018 CA HIS B 572 67.095 20.756 14.111 1.00 0.00 C ATOM 2019 C HIS B 572 66.614 19.313 14.241 1.00 0.00 C ATOM 2020 O HIS B 572 66.768 18.689 15.272 1.00 0.00 O ATOM 2021 CB HIS B 572 66.353 21.690 15.082 1.00 0.00 C ATOM 2022 CG HIS B 572 66.783 23.109 14.772 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.046 24.265 15.097 1.00 0.00 N ATOM 2024 CD2 HIS B 572 67.915 23.570 14.139 1.00 0.00 C ATOM 2025 CE1 HIS B 572 66.756 25.320 14.652 1.00 0.00 C ATOM 2026 NE2 HIS B 572 67.892 24.955 14.067 1.00 0.00 N ATOM 0 H HIS B 572 66.262 22.031 12.611 1.00 0.00 H new ATOM 0 HA HIS B 572 68.156 20.775 14.362 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.274 21.583 14.967 1.00 0.00 H new ATOM 0 HB3 HIS B 572 66.590 21.435 16.115 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.706 22.944 13.754 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.438 26.347 14.759 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.597 25.564 13.653 1.00 0.00 H new ATOM 2033 N PHE B 573 66.065 18.766 13.187 1.00 0.00 N ATOM 2034 CA PHE B 573 65.607 17.343 13.214 1.00 0.00 C ATOM 2035 C PHE B 573 66.140 16.659 11.950 1.00 0.00 C ATOM 2036 O PHE B 573 65.393 16.180 11.122 1.00 0.00 O ATOM 2037 CB PHE B 573 64.078 17.306 13.233 1.00 0.00 C ATOM 2038 CG PHE B 573 63.594 15.996 13.813 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.410 15.870 15.195 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.329 14.912 12.969 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.961 14.658 15.733 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.880 13.700 13.507 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.696 13.573 14.890 1.00 0.00 C ATOM 0 H PHE B 573 65.913 19.248 12.301 1.00 0.00 H new ATOM 0 HA PHE B 573 65.976 16.829 14.101 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.694 18.138 13.824 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.691 17.429 12.221 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.614 16.707 15.846 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.471 15.010 11.903 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.819 14.560 16.799 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.675 12.863 12.856 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.350 12.638 15.305 1.00 0.00 H new ATOM 2053 N VAL B 574 67.436 16.652 11.794 1.00 0.00 N ATOM 2054 CA VAL B 574 68.069 16.050 10.581 1.00 0.00 C ATOM 2055 C VAL B 574 68.484 14.592 10.827 1.00 0.00 C ATOM 2056 O VAL B 574 68.344 14.058 11.909 1.00 0.00 O ATOM 2057 CB VAL B 574 69.329 16.842 10.229 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.942 18.254 9.739 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.230 16.933 11.473 1.00 0.00 C ATOM 0 H VAL B 574 68.095 17.044 12.466 1.00 0.00 H new ATOM 0 HA VAL B 574 67.338 16.081 9.773 1.00 0.00 H new ATOM 0 HB VAL B 574 69.871 16.337 9.430 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.844 18.813 9.490 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.310 18.172 8.854 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.398 18.776 10.526 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.131 17.497 11.229 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.692 17.438 12.276 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.506 15.929 11.796 1.00 0.00 H new ATOM 2069 N CYS B 575 69.008 13.962 9.806 1.00 0.00 N ATOM 2070 CA CYS B 575 69.464 12.540 9.918 1.00 0.00 C ATOM 2071 C CYS B 575 70.877 12.533 10.468 1.00 0.00 C ATOM 2072 O CYS B 575 71.655 13.409 10.147 1.00 0.00 O ATOM 2073 CB CYS B 575 69.441 11.898 8.513 1.00 0.00 C ATOM 2074 SG CYS B 575 71.011 11.079 8.117 1.00 0.00 S ATOM 0 H CYS B 575 69.142 14.378 8.885 1.00 0.00 H new ATOM 0 HA CYS B 575 68.810 11.975 10.582 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.629 11.172 8.459 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.233 12.665 7.767 1.00 0.00 H new ATOM 0 HG CYS B 575 71.562 11.667 7.096 1.00 0.00 H new ATOM 2079 N ALA B 576 71.255 11.557 11.268 1.00 0.00 N ATOM 2080 CA ALA B 576 72.669 11.589 11.750 1.00 0.00 C ATOM 2081 C ALA B 576 73.550 10.700 10.848 1.00 0.00 C ATOM 2082 O ALA B 576 74.029 9.658 11.240 1.00 0.00 O ATOM 2083 CB ALA B 576 72.696 11.034 13.183 1.00 0.00 C ATOM 0 H ALA B 576 70.678 10.781 11.591 1.00 0.00 H new ATOM 0 HA ALA B 576 73.050 12.610 11.723 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.719 11.047 13.559 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.066 11.651 13.824 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.322 10.010 13.184 1.00 0.00 H new ATOM 2089 N PHE B 577 73.853 11.215 9.688 1.00 0.00 N ATOM 2090 CA PHE B 577 74.804 10.591 8.711 1.00 0.00 C ATOM 2091 C PHE B 577 75.324 11.796 7.957 1.00 0.00 C ATOM 2092 O PHE B 577 76.500 12.081 7.852 1.00 0.00 O ATOM 2093 CB PHE B 577 74.101 9.607 7.766 1.00 0.00 C ATOM 2094 CG PHE B 577 75.056 9.109 6.694 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.974 8.081 6.972 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.009 9.668 5.411 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.836 7.622 5.970 1.00 0.00 C ATOM 2098 CE2 PHE B 577 75.875 9.207 4.411 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.787 8.184 4.691 1.00 0.00 C ATOM 0 H PHE B 577 73.457 12.095 9.357 1.00 0.00 H new ATOM 0 HA PHE B 577 75.582 9.998 9.191 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.715 8.762 8.336 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.245 10.094 7.299 1.00 0.00 H new ATOM 0 HD1 PHE B 577 76.014 7.645 7.959 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.304 10.456 5.192 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.540 6.832 6.185 1.00 0.00 H new ATOM 0 HE2 PHE B 577 75.838 9.642 3.423 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.453 7.828 3.919 1.00 0.00 H new ATOM 2109 N CYS B 578 74.342 12.531 7.492 1.00 0.00 N ATOM 2110 CA CYS B 578 74.528 13.809 6.772 1.00 0.00 C ATOM 2111 C CYS B 578 73.591 14.791 7.486 1.00 0.00 C ATOM 2112 O CYS B 578 72.472 15.018 7.085 1.00 0.00 O ATOM 2113 CB CYS B 578 74.111 13.651 5.305 1.00 0.00 C ATOM 2114 SG CYS B 578 72.381 13.118 5.212 1.00 0.00 S ATOM 0 H CYS B 578 73.362 12.268 7.596 1.00 0.00 H new ATOM 0 HA CYS B 578 75.565 14.145 6.776 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.239 14.596 4.777 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.753 12.921 4.812 1.00 0.00 H new ATOM 0 HG CYS B 578 71.692 13.716 6.139 1.00 0.00 H new ATOM 2119 N LEU B 579 74.028 15.294 8.595 1.00 0.00 N ATOM 2120 CA LEU B 579 73.193 16.197 9.436 1.00 0.00 C ATOM 2121 C LEU B 579 72.598 17.387 8.665 1.00 0.00 C ATOM 2122 O LEU B 579 72.176 18.343 9.286 1.00 0.00 O ATOM 2123 CB LEU B 579 74.074 16.722 10.581 1.00 0.00 C ATOM 2124 CG LEU B 579 74.633 15.528 11.421 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.161 15.622 11.540 1.00 0.00 C ATOM 2126 CD2 LEU B 579 74.029 15.535 12.835 1.00 0.00 C ATOM 0 H LEU B 579 74.959 15.114 8.971 1.00 0.00 H new ATOM 0 HA LEU B 579 72.344 15.618 9.801 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.898 17.309 10.176 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.494 17.387 11.221 1.00 0.00 H new ATOM 0 HG LEU B 579 74.361 14.605 10.909 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.532 14.783 12.128 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.606 15.593 10.545 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.431 16.557 12.031 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.429 14.697 13.406 1.00 0.00 H new ATOM 0 HD22 LEU B 579 74.284 16.469 13.335 1.00 0.00 H new ATOM 0 HD23 LEU B 579 72.945 15.444 12.768 1.00 0.00 H new ATOM 2138 N LYS B 580 72.559 17.397 7.344 1.00 0.00 N ATOM 2139 CA LYS B 580 71.986 18.618 6.674 1.00 0.00 C ATOM 2140 C LYS B 580 70.458 18.534 6.500 1.00 0.00 C ATOM 2141 O LYS B 580 69.782 19.533 6.640 1.00 0.00 O ATOM 2142 CB LYS B 580 72.675 18.814 5.290 1.00 0.00 C ATOM 2143 CG LYS B 580 71.924 18.122 4.123 1.00 0.00 C ATOM 2144 CD LYS B 580 72.046 16.601 4.249 1.00 0.00 C ATOM 2145 CE LYS B 580 70.916 15.924 3.473 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.630 16.700 2.234 1.00 0.00 N ATOM 0 H LYS B 580 72.882 16.651 6.728 1.00 0.00 H new ATOM 0 HA LYS B 580 72.182 19.475 7.318 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.753 19.881 5.080 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.691 18.423 5.340 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.874 18.413 4.133 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.337 18.450 3.169 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.011 16.272 3.865 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.004 16.309 5.298 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.197 14.902 3.218 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.021 15.864 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.114 16.100 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.052 17.531 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.525 17.012 1.805 1.00 0.00 H new ATOM 2160 N GLN B 581 69.875 17.389 6.211 1.00 0.00 N ATOM 2161 CA GLN B 581 68.379 17.387 6.071 1.00 0.00 C ATOM 2162 C GLN B 581 67.725 16.016 6.238 1.00 0.00 C ATOM 2163 O GLN B 581 68.181 15.015 5.723 1.00 0.00 O ATOM 2164 CB GLN B 581 67.975 17.992 4.732 1.00 0.00 C ATOM 2165 CG GLN B 581 66.475 18.314 4.743 1.00 0.00 C ATOM 2166 CD GLN B 581 66.216 19.555 5.591 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.029 20.636 5.068 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.195 19.446 6.886 1.00 0.00 N ATOM 0 H GLN B 581 70.344 16.494 6.071 1.00 0.00 H new ATOM 0 HA GLN B 581 68.010 17.996 6.896 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.550 18.898 4.543 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.202 17.296 3.924 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.122 18.479 3.725 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.916 17.468 5.141 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.352 18.538 7.324 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.021 20.268 7.464 1.00 0.00 H new ATOM 2177 N LEU B 582 66.600 16.006 6.904 1.00 0.00 N ATOM 2178 CA LEU B 582 65.801 14.755 7.076 1.00 0.00 C ATOM 2179 C LEU B 582 64.318 15.084 6.862 1.00 0.00 C ATOM 2180 O LEU B 582 63.934 16.233 6.783 1.00 0.00 O ATOM 2181 CB LEU B 582 66.015 14.226 8.484 1.00 0.00 C ATOM 2182 CG LEU B 582 65.478 12.792 8.655 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.159 11.830 7.652 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.747 12.337 10.105 1.00 0.00 C ATOM 0 H LEU B 582 66.192 16.830 7.346 1.00 0.00 H new ATOM 0 HA LEU B 582 66.114 14.000 6.355 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.079 14.244 8.719 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.520 14.885 9.197 1.00 0.00 H new ATOM 0 HG LEU B 582 64.407 12.776 8.454 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.766 10.823 7.790 1.00 0.00 H new ATOM 0 HD12 LEU B 582 65.957 12.163 6.634 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.235 11.826 7.825 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.373 11.323 10.243 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.819 12.358 10.300 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.239 13.009 10.797 1.00 0.00 H new ATOM 2196 N ASN B 583 63.485 14.081 6.765 1.00 0.00 N ATOM 2197 CA ASN B 583 62.024 14.321 6.550 1.00 0.00 C ATOM 2198 C ASN B 583 61.223 13.221 7.254 1.00 0.00 C ATOM 2199 O ASN B 583 61.494 12.049 7.097 1.00 0.00 O ATOM 2200 CB ASN B 583 61.718 14.289 5.045 1.00 0.00 C ATOM 2201 CG ASN B 583 62.067 15.630 4.409 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.336 16.596 5.093 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.069 15.726 3.112 1.00 0.00 N ATOM 0 H ASN B 583 63.754 13.099 6.826 1.00 0.00 H new ATOM 0 HA ASN B 583 61.749 15.294 6.957 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.288 13.492 4.567 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.663 14.066 4.885 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.297 16.615 2.667 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.843 14.912 2.540 1.00 0.00 H new ATOM 2210 N LYS B 584 60.232 13.594 8.015 1.00 0.00 N ATOM 2211 CA LYS B 584 59.400 12.582 8.724 1.00 0.00 C ATOM 2212 C LYS B 584 58.893 11.549 7.723 1.00 0.00 C ATOM 2213 O LYS B 584 58.522 10.448 8.076 1.00 0.00 O ATOM 2214 CB LYS B 584 58.196 13.277 9.344 1.00 0.00 C ATOM 2215 CG LYS B 584 57.533 14.144 8.264 1.00 0.00 C ATOM 2216 CD LYS B 584 56.292 14.856 8.815 1.00 0.00 C ATOM 2217 CE LYS B 584 55.343 13.858 9.486 1.00 0.00 C ATOM 2218 NZ LYS B 584 53.966 14.426 9.515 1.00 0.00 N ATOM 0 H LYS B 584 59.961 14.564 8.177 1.00 0.00 H new ATOM 0 HA LYS B 584 59.999 12.095 9.493 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.489 12.542 9.728 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.506 13.893 10.188 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.246 14.882 7.896 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.252 13.521 7.415 1.00 0.00 H new ATOM 0 HD2 LYS B 584 56.594 15.617 9.534 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.773 15.370 8.006 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.347 12.913 8.942 1.00 0.00 H new ATOM 0 HE3 LYS B 584 55.681 13.643 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 53.573 14.336 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 53.999 15.430 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.363 13.909 8.844 1.00 0.00 H new ATOM 2232 N GLY B 585 58.856 11.908 6.475 1.00 0.00 N ATOM 2233 CA GLY B 585 58.360 10.967 5.439 1.00 0.00 C ATOM 2234 C GLY B 585 59.500 10.065 5.008 1.00 0.00 C ATOM 2235 O GLY B 585 59.302 9.022 4.417 1.00 0.00 O ATOM 0 H GLY B 585 59.150 12.820 6.125 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.537 10.371 5.834 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.972 11.519 4.583 1.00 0.00 H new ATOM 2239 N THR B 586 60.698 10.468 5.309 1.00 0.00 N ATOM 2240 CA THR B 586 61.894 9.660 4.939 1.00 0.00 C ATOM 2241 C THR B 586 62.844 9.613 6.128 1.00 0.00 C ATOM 2242 O THR B 586 64.040 9.464 5.973 1.00 0.00 O ATOM 2243 CB THR B 586 62.595 10.310 3.744 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.521 11.280 4.213 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.551 10.985 2.852 1.00 0.00 C ATOM 0 H THR B 586 60.905 11.336 5.803 1.00 0.00 H new ATOM 0 HA THR B 586 61.592 8.648 4.670 1.00 0.00 H new ATOM 0 HB THR B 586 63.126 9.550 3.170 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.202 10.842 4.765 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.046 11.449 1.999 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.840 10.240 2.497 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.022 11.748 3.424 1.00 0.00 H new ATOM 2253 N PHE B 587 62.322 9.742 7.322 1.00 0.00 N ATOM 2254 CA PHE B 587 63.214 9.705 8.527 1.00 0.00 C ATOM 2255 C PHE B 587 63.362 8.265 9.027 1.00 0.00 C ATOM 2256 O PHE B 587 62.460 7.664 9.573 1.00 0.00 O ATOM 2257 CB PHE B 587 62.671 10.618 9.644 1.00 0.00 C ATOM 2258 CG PHE B 587 61.586 9.932 10.464 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.671 9.920 11.864 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.498 9.317 9.829 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.674 9.296 12.623 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.502 8.692 10.590 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.590 8.682 11.986 1.00 0.00 C ATOM 0 H PHE B 587 61.329 9.870 7.516 1.00 0.00 H new ATOM 0 HA PHE B 587 64.197 10.079 8.241 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.489 10.914 10.301 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.270 11.531 9.203 1.00 0.00 H new ATOM 0 HD1 PHE B 587 62.507 10.393 12.357 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.428 9.325 8.751 1.00 0.00 H new ATOM 0 HE1 PHE B 587 60.742 9.288 13.701 1.00 0.00 H new ATOM 0 HE2 PHE B 587 58.665 8.217 10.099 1.00 0.00 H new ATOM 0 HZ PHE B 587 58.821 8.200 12.572 1.00 0.00 H new ATOM 2273 N LYS B 588 64.520 7.716 8.827 1.00 0.00 N ATOM 2274 CA LYS B 588 64.811 6.322 9.261 1.00 0.00 C ATOM 2275 C LYS B 588 65.654 6.406 10.537 1.00 0.00 C ATOM 2276 O LYS B 588 66.131 7.460 10.896 1.00 0.00 O ATOM 2277 CB LYS B 588 65.585 5.629 8.109 1.00 0.00 C ATOM 2278 CG LYS B 588 65.028 4.226 7.751 1.00 0.00 C ATOM 2279 CD LYS B 588 63.490 4.173 7.548 1.00 0.00 C ATOM 2280 CE LYS B 588 62.933 5.453 6.907 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.718 5.113 6.112 1.00 0.00 N ATOM 0 H LYS B 588 65.301 8.186 8.368 1.00 0.00 H new ATOM 0 HA LYS B 588 63.910 5.747 9.473 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.549 6.263 7.223 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.634 5.535 8.391 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.514 3.879 6.839 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.301 3.528 8.543 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.240 3.318 6.920 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.006 4.013 8.511 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.686 6.182 7.678 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.686 5.910 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.336 5.976 5.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 61.969 4.431 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.000 4.695 6.737 1.00 0.00 H new ATOM 2295 N GLU B 589 65.831 5.321 11.236 1.00 0.00 N ATOM 2296 CA GLU B 589 66.639 5.382 12.490 1.00 0.00 C ATOM 2297 C GLU B 589 67.270 4.028 12.780 1.00 0.00 C ATOM 2298 O GLU B 589 66.797 2.986 12.373 1.00 0.00 O ATOM 2299 CB GLU B 589 65.742 5.814 13.669 1.00 0.00 C ATOM 2300 CG GLU B 589 66.344 5.382 15.018 1.00 0.00 C ATOM 2301 CD GLU B 589 65.611 6.097 16.155 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.916 7.254 16.394 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.758 5.475 16.766 1.00 0.00 O ATOM 0 H GLU B 589 65.457 4.402 10.999 1.00 0.00 H new ATOM 0 HA GLU B 589 67.436 6.115 12.361 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.616 6.897 13.655 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.751 5.376 13.554 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.258 4.302 15.138 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.407 5.622 15.048 1.00 0.00 H new ATOM 2310 N GLN B 590 68.328 4.070 13.518 1.00 0.00 N ATOM 2311 CA GLN B 590 69.041 2.850 13.921 1.00 0.00 C ATOM 2312 C GLN B 590 69.838 3.197 15.166 1.00 0.00 C ATOM 2313 O GLN B 590 70.319 4.303 15.315 1.00 0.00 O ATOM 2314 CB GLN B 590 69.993 2.383 12.807 1.00 0.00 C ATOM 2315 CG GLN B 590 70.132 0.857 12.857 1.00 0.00 C ATOM 2316 CD GLN B 590 71.411 0.417 12.138 1.00 0.00 C ATOM 2317 OE1 GLN B 590 72.429 1.074 12.227 1.00 0.00 O ATOM 2318 NE2 GLN B 590 71.398 -0.676 11.425 1.00 0.00 N ATOM 0 H GLN B 590 68.741 4.934 13.870 1.00 0.00 H new ATOM 0 HA GLN B 590 68.336 2.041 14.112 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.610 2.692 11.834 1.00 0.00 H new ATOM 0 HB3 GLN B 590 70.970 2.852 12.929 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.155 0.521 13.894 1.00 0.00 H new ATOM 0 HG3 GLN B 590 69.265 0.390 12.390 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.543 -1.227 11.351 1.00 0.00 H new ATOM 0 HE22 GLN B 590 72.243 -0.980 10.942 1.00 0.00 H new ATOM 2327 N ASN B 591 69.998 2.274 16.053 1.00 0.00 N ATOM 2328 CA ASN B 591 70.786 2.567 17.281 1.00 0.00 C ATOM 2329 C ASN B 591 70.271 3.875 17.916 1.00 0.00 C ATOM 2330 O ASN B 591 70.971 4.508 18.677 1.00 0.00 O ATOM 2331 CB ASN B 591 72.304 2.683 16.926 1.00 0.00 C ATOM 2332 CG ASN B 591 72.524 2.517 15.419 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.233 3.285 14.799 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.933 1.533 14.815 1.00 0.00 N ATOM 0 H ASN B 591 69.621 1.328 15.989 1.00 0.00 H new ATOM 0 HA ASN B 591 70.665 1.755 17.998 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.685 3.652 17.249 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.868 1.923 17.466 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.062 1.399 13.812 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.340 0.893 15.343 1.00 0.00 H new ATOM 2341 N ASP B 592 69.044 4.261 17.615 1.00 0.00 N ATOM 2342 CA ASP B 592 68.440 5.508 18.204 1.00 0.00 C ATOM 2343 C ASP B 592 68.911 6.748 17.444 1.00 0.00 C ATOM 2344 O ASP B 592 68.480 7.852 17.712 1.00 0.00 O ATOM 2345 CB ASP B 592 68.836 5.654 19.679 1.00 0.00 C ATOM 2346 CG ASP B 592 68.861 4.280 20.353 1.00 0.00 C ATOM 2347 OD1 ASP B 592 67.887 3.559 20.220 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.855 3.974 20.991 1.00 0.00 O ATOM 0 H ASP B 592 68.429 3.756 16.977 1.00 0.00 H new ATOM 0 HA ASP B 592 67.357 5.421 18.122 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.817 6.124 19.756 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.129 6.307 20.191 1.00 0.00 H new ATOM 2353 N LYS B 593 69.797 6.580 16.515 1.00 0.00 N ATOM 2354 CA LYS B 593 70.311 7.742 15.750 1.00 0.00 C ATOM 2355 C LYS B 593 69.452 7.950 14.488 1.00 0.00 C ATOM 2356 O LYS B 593 69.402 7.075 13.646 1.00 0.00 O ATOM 2357 CB LYS B 593 71.736 7.429 15.321 1.00 0.00 C ATOM 2358 CG LYS B 593 72.558 6.948 16.520 1.00 0.00 C ATOM 2359 CD LYS B 593 74.051 7.117 16.211 1.00 0.00 C ATOM 2360 CE LYS B 593 74.891 6.647 17.404 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.943 7.726 18.431 1.00 0.00 N ATOM 0 H LYS B 593 70.193 5.679 16.248 1.00 0.00 H new ATOM 0 HA LYS B 593 70.276 8.641 16.366 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.730 6.663 14.545 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.196 8.317 14.889 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.292 7.518 17.410 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.335 5.903 16.733 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.314 6.543 15.322 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.269 8.162 15.992 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.459 5.743 17.833 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.899 6.394 17.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.513 7.408 19.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.374 8.578 18.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.979 7.947 18.752 1.00 0.00 H new ATOM 2375 N PRO B 594 68.789 9.079 14.316 1.00 0.00 N ATOM 2376 CA PRO B 594 67.976 9.285 13.087 1.00 0.00 C ATOM 2377 C PRO B 594 68.774 8.946 11.822 1.00 0.00 C ATOM 2378 O PRO B 594 69.977 8.783 11.869 1.00 0.00 O ATOM 2379 CB PRO B 594 67.651 10.779 13.178 1.00 0.00 C ATOM 2380 CG PRO B 594 67.784 11.187 14.644 1.00 0.00 C ATOM 2381 CD PRO B 594 68.779 10.212 15.294 1.00 0.00 C ATOM 0 HA PRO B 594 67.093 8.649 13.024 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.332 11.359 12.555 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.642 10.975 12.815 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.140 12.214 14.728 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.817 11.143 15.146 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.767 10.657 15.413 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.451 9.894 16.284 1.00 0.00 H new ATOM 2389 N TYR B 595 68.121 8.819 10.701 1.00 0.00 N ATOM 2390 CA TYR B 595 68.865 8.464 9.457 1.00 0.00 C ATOM 2391 C TYR B 595 67.963 8.594 8.231 1.00 0.00 C ATOM 2392 O TYR B 595 66.862 8.089 8.218 1.00 0.00 O ATOM 2393 CB TYR B 595 69.285 6.980 9.512 1.00 0.00 C ATOM 2394 CG TYR B 595 70.544 6.757 10.319 1.00 0.00 C ATOM 2395 CD1 TYR B 595 70.523 5.918 11.443 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.741 7.343 9.912 1.00 0.00 C ATOM 2397 CE1 TYR B 595 71.700 5.674 12.155 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.920 7.103 10.630 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.899 6.267 11.750 1.00 0.00 C ATOM 2400 OH TYR B 595 74.061 6.027 12.454 1.00 0.00 O ATOM 0 H TYR B 595 67.115 8.944 10.590 1.00 0.00 H new ATOM 0 HA TYR B 595 69.722 9.134 9.387 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.474 6.393 9.943 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.439 6.613 8.497 1.00 0.00 H new ATOM 0 HD1 TYR B 595 69.597 5.461 11.758 1.00 0.00 H new ATOM 0 HD2 TYR B 595 71.760 7.983 9.042 1.00 0.00 H new ATOM 0 HE1 TYR B 595 71.683 5.027 13.019 1.00 0.00 H new ATOM 0 HE2 TYR B 595 73.845 7.564 10.318 1.00 0.00 H new ATOM 0 HH TYR B 595 74.802 6.515 12.038 1.00 0.00 H new ATOM 2410 N CYS B 596 68.452 9.146 7.160 1.00 0.00 N ATOM 2411 CA CYS B 596 67.619 9.137 5.935 1.00 0.00 C ATOM 2412 C CYS B 596 67.603 7.679 5.527 1.00 0.00 C ATOM 2413 O CYS B 596 68.520 6.948 5.847 1.00 0.00 O ATOM 2414 CB CYS B 596 68.246 9.964 4.800 1.00 0.00 C ATOM 2415 SG CYS B 596 68.803 11.574 5.403 1.00 0.00 S ATOM 0 H CYS B 596 69.366 9.591 7.080 1.00 0.00 H new ATOM 0 HA CYS B 596 66.635 9.567 6.120 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.088 9.421 4.372 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.517 10.103 4.001 1.00 0.00 H new ATOM 0 HG CYS B 596 69.770 11.407 6.256 1.00 0.00 H new ATOM 2420 N GLN B 597 66.620 7.217 4.833 1.00 0.00 N ATOM 2421 CA GLN B 597 66.664 5.790 4.455 1.00 0.00 C ATOM 2422 C GLN B 597 67.949 5.595 3.646 1.00 0.00 C ATOM 2423 O GLN B 597 68.798 4.796 3.981 1.00 0.00 O ATOM 2424 CB GLN B 597 65.388 5.432 3.656 1.00 0.00 C ATOM 2425 CG GLN B 597 65.616 4.260 2.684 1.00 0.00 C ATOM 2426 CD GLN B 597 65.431 2.931 3.416 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.001 1.955 2.834 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.741 2.855 4.676 1.00 0.00 N ATOM 0 H GLN B 597 65.807 7.745 4.516 1.00 0.00 H new ATOM 0 HA GLN B 597 66.680 5.125 5.318 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.588 5.175 4.350 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.056 6.306 3.096 1.00 0.00 H new ATOM 0 HG2 GLN B 597 64.916 4.326 1.851 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.620 4.316 2.263 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.102 3.675 5.163 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.623 1.975 5.178 1.00 0.00 H new ATOM 2437 N ASN B 598 68.094 6.340 2.592 1.00 0.00 N ATOM 2438 CA ASN B 598 69.311 6.232 1.746 1.00 0.00 C ATOM 2439 C ASN B 598 70.558 6.196 2.632 1.00 0.00 C ATOM 2440 O ASN B 598 71.576 5.656 2.259 1.00 0.00 O ATOM 2441 CB ASN B 598 69.372 7.447 0.811 1.00 0.00 C ATOM 2442 CG ASN B 598 67.960 7.843 0.402 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.566 8.984 0.537 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.181 6.936 -0.096 1.00 0.00 N ATOM 0 H ASN B 598 67.412 7.029 2.275 1.00 0.00 H new ATOM 0 HA ASN B 598 69.272 5.315 1.158 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.864 8.281 1.312 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.965 7.210 -0.072 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.231 7.178 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.518 5.980 -0.207 1.00 0.00 H new ATOM 2451 N CYS B 599 70.487 6.767 3.802 1.00 0.00 N ATOM 2452 CA CYS B 599 71.667 6.759 4.704 1.00 0.00 C ATOM 2453 C CYS B 599 71.692 5.451 5.491 1.00 0.00 C ATOM 2454 O CYS B 599 72.578 4.647 5.322 1.00 0.00 O ATOM 2455 CB CYS B 599 71.577 7.938 5.670 1.00 0.00 C ATOM 2456 SG CYS B 599 71.841 9.478 4.760 1.00 0.00 S ATOM 0 H CYS B 599 69.661 7.239 4.171 1.00 0.00 H new ATOM 0 HA CYS B 599 72.580 6.845 4.114 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.601 7.952 6.155 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.323 7.835 6.458 1.00 0.00 H new ATOM 0 HG CYS B 599 73.104 9.606 4.482 1.00 0.00 H new ATOM 2461 N PHE B 600 70.722 5.231 6.342 1.00 0.00 N ATOM 2462 CA PHE B 600 70.690 3.972 7.144 1.00 0.00 C ATOM 2463 C PHE B 600 70.846 2.770 6.209 1.00 0.00 C ATOM 2464 O PHE B 600 71.731 1.954 6.372 1.00 0.00 O ATOM 2465 CB PHE B 600 69.347 3.901 7.914 1.00 0.00 C ATOM 2466 CG PHE B 600 68.884 2.466 8.092 1.00 0.00 C ATOM 2467 CD1 PHE B 600 69.474 1.655 9.069 1.00 0.00 C ATOM 2468 CD2 PHE B 600 67.867 1.953 7.277 1.00 0.00 C ATOM 2469 CE1 PHE B 600 69.046 0.332 9.231 1.00 0.00 C ATOM 2470 CE2 PHE B 600 67.440 0.630 7.440 1.00 0.00 C ATOM 2471 CZ PHE B 600 68.029 -0.181 8.417 1.00 0.00 C ATOM 0 H PHE B 600 69.948 5.872 6.516 1.00 0.00 H new ATOM 0 HA PHE B 600 71.510 3.959 7.862 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.461 4.372 8.891 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.587 4.466 7.375 1.00 0.00 H new ATOM 0 HD1 PHE B 600 70.259 2.050 9.697 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.412 2.578 6.523 1.00 0.00 H new ATOM 0 HE1 PHE B 600 69.501 -0.294 9.985 1.00 0.00 H new ATOM 0 HE2 PHE B 600 66.656 0.235 6.812 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.699 -1.202 8.543 1.00 0.00 H new ATOM 2481 N LEU B 601 69.986 2.649 5.240 1.00 0.00 N ATOM 2482 CA LEU B 601 70.076 1.497 4.308 1.00 0.00 C ATOM 2483 C LEU B 601 71.526 1.355 3.825 1.00 0.00 C ATOM 2484 O LEU B 601 72.053 0.266 3.736 1.00 0.00 O ATOM 2485 CB LEU B 601 69.068 1.727 3.141 1.00 0.00 C ATOM 2486 CG LEU B 601 69.761 1.928 1.775 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.463 0.625 1.312 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.704 2.338 0.742 1.00 0.00 C ATOM 0 H LEU B 601 69.223 3.300 5.054 1.00 0.00 H new ATOM 0 HA LEU B 601 69.808 0.561 4.798 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.393 0.873 3.078 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.456 2.601 3.364 1.00 0.00 H new ATOM 0 HG LEU B 601 70.519 2.706 1.872 1.00 0.00 H new ATOM 0 HD11 LEU B 601 70.943 0.793 0.348 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.215 0.336 2.046 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.725 -0.171 1.216 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.180 2.483 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU B 601 67.950 1.555 0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.230 3.268 1.056 1.00 0.00 H new ATOM 2500 N LYS B 602 72.167 2.442 3.508 1.00 0.00 N ATOM 2501 CA LYS B 602 73.575 2.356 3.022 1.00 0.00 C ATOM 2502 C LYS B 602 74.461 1.684 4.073 1.00 0.00 C ATOM 2503 O LYS B 602 75.531 1.207 3.771 1.00 0.00 O ATOM 2504 CB LYS B 602 74.111 3.761 2.729 1.00 0.00 C ATOM 2505 CG LYS B 602 75.487 3.688 2.054 1.00 0.00 C ATOM 2506 CD LYS B 602 75.399 2.944 0.705 1.00 0.00 C ATOM 2507 CE LYS B 602 76.511 3.427 -0.232 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.831 3.271 0.443 1.00 0.00 N ATOM 0 H LYS B 602 71.781 3.385 3.563 1.00 0.00 H new ATOM 0 HA LYS B 602 73.591 1.761 2.109 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.412 4.295 2.085 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.186 4.328 3.657 1.00 0.00 H new ATOM 0 HG2 LYS B 602 75.872 4.695 1.894 1.00 0.00 H new ATOM 0 HG3 LYS B 602 76.192 3.178 2.710 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.489 1.870 0.866 1.00 0.00 H new ATOM 0 HD3 LYS B 602 74.425 3.118 0.247 1.00 0.00 H new ATOM 0 HE2 LYS B 602 76.495 2.854 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS B 602 76.348 4.471 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.583 3.630 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.831 3.809 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.000 2.265 0.646 1.00 0.00 H new ATOM 2522 N LEU B 603 74.044 1.658 5.309 1.00 0.00 N ATOM 2523 CA LEU B 603 74.896 1.032 6.368 1.00 0.00 C ATOM 2524 C LEU B 603 74.577 -0.459 6.511 1.00 0.00 C ATOM 2525 O LEU B 603 75.450 -1.298 6.408 1.00 0.00 O ATOM 2526 CB LEU B 603 74.641 1.744 7.700 1.00 0.00 C ATOM 2527 CG LEU B 603 74.458 3.240 7.448 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.367 3.978 8.782 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.646 3.785 6.646 1.00 0.00 C ATOM 0 H LEU B 603 73.156 2.040 5.634 1.00 0.00 H new ATOM 0 HA LEU B 603 75.944 1.132 6.085 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.753 1.333 8.180 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.477 1.578 8.380 1.00 0.00 H new ATOM 0 HG LEU B 603 73.540 3.394 6.881 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.237 5.045 8.600 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.517 3.600 9.350 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.283 3.817 9.350 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.508 4.852 6.471 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.567 3.626 7.207 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.709 3.265 5.690 1.00 0.00 H new ATOM 2541 N PHE B 604 73.338 -0.792 6.768 1.00 0.00 N ATOM 2542 CA PHE B 604 72.948 -2.229 6.946 1.00 0.00 C ATOM 2543 C PHE B 604 72.147 -2.710 5.724 1.00 0.00 C ATOM 2544 O PHE B 604 71.273 -3.546 5.838 1.00 0.00 O ATOM 2545 CB PHE B 604 72.101 -2.355 8.230 1.00 0.00 C ATOM 2546 CG PHE B 604 73.004 -2.601 9.427 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.858 -1.587 9.889 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.989 -3.846 10.072 1.00 0.00 C ATOM 2549 CE1 PHE B 604 74.690 -1.821 10.990 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.821 -4.076 11.173 1.00 0.00 C ATOM 2551 CZ PHE B 604 74.672 -3.064 11.632 1.00 0.00 C ATOM 0 H PHE B 604 72.571 -0.126 6.863 1.00 0.00 H new ATOM 0 HA PHE B 604 73.839 -2.850 7.035 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.520 -1.445 8.383 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.389 -3.174 8.127 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.873 -0.627 9.395 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.334 -4.629 9.718 1.00 0.00 H new ATOM 0 HE1 PHE B 604 75.347 -1.041 11.345 1.00 0.00 H new ATOM 0 HE2 PHE B 604 73.807 -5.035 11.669 1.00 0.00 H new ATOM 0 HZ PHE B 604 75.315 -3.243 12.481 1.00 0.00 H new ATOM 2561 N CYS B 605 72.441 -2.191 4.555 1.00 0.00 N ATOM 2562 CA CYS B 605 71.700 -2.624 3.326 1.00 0.00 C ATOM 2563 C CYS B 605 71.514 -4.147 3.337 1.00 0.00 C ATOM 2564 O CYS B 605 72.393 -4.827 3.840 1.00 0.00 O ATOM 2565 CB CYS B 605 72.499 -2.226 2.078 1.00 0.00 C ATOM 2566 SG CYS B 605 71.811 -3.056 0.621 1.00 0.00 S ATOM 2567 OXT CYS B 605 70.497 -4.603 2.842 1.00 0.00 O ATOM 0 H CYS B 605 73.162 -1.486 4.399 1.00 0.00 H new ATOM 0 HA CYS B 605 70.724 -2.139 3.311 1.00 0.00 H new ATOM 0 HB2 CYS B 605 72.465 -1.145 1.942 1.00 0.00 H new ATOM 0 HB3 CYS B 605 73.547 -2.499 2.203 1.00 0.00 H new ATOM 0 HG CYS B 605 70.947 -3.951 0.999 1.00 0.00 H new